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Shanghai Rainbow Chemistry Co., Ltd.

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Contact: Brian Wu
Web: http://www.rainbow-chem.com
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Address: Room 128, Building B, No. 8, Lane 1305, Huajing Road, Xuhui Area, Shanghai 200231, China
Phone: +86-(21)-64965859 | Fax: +86-(21)-64968087 | Map/Directions >>

Profile: Shanghai Rainbow Chemistry Co., Ltd. specializes in developing and manufacturing APIs and pharmaceutical intermediates. We provide 5-bromo-2-cyanopyridine, 2-bromo-5-cyanopyridine, 2-chloro-5-cyanopyridine, pyridine-3,4-dicarboxylic anhydride, 3-amino-2-bromopyridine, 2-amino-5-bromo-3-nitropyridine , 2,3-dibromopyridine, 6-aminonicotinic acid, 5-bromonicotinic acid ethyl ester, 2-chloro-5-aminopyridine, 2-chloro-4-methylpyridine, 2-bromo-3-trifluoromethylpyridine, diminazene and bucillamin.

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• Acetic acid, 2-[[(4-methoxy-3-nitrophenyl)methyl]sulfonyl]-
IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfonyl]acetic acid | CAS Registry Number: 592542-51-3
Synonyms: 2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid, 2-(4-methoxy-3-nitrobenzylsulfonyl)acetic acid, 4-METHOXY-3-NITROBENZYLSULFONYLACETIC ACID, 3-NITRO-4-METHOXYBENZYL-SULFONYLACETIC ACID, 3-NITRO-4-METHOXYBENZYL SULFONYL ACETIC ACID, 3-Nitro-4-methoxybenzyl sulfonylacetic acid, 3-Nitro-4-methoxy benzoyl sulfonyl acetic acid, PubChem21407, SureCN498467, CTK1G9508, MolPort-005-175-143, ACN-S001455, ACT04790, ANW-46141, SBB063474, AKOS009225033, AG-A-62019, AG-G-10884, RP29998, AK-32456

Molecular Formula: C10H11NO7SMolecular Weight: 289.261840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: ZHUCRFJQVSHBJR-UHFFFAOYSA-N

• Aliskiren
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide | CAS Registry Number: 173334-57-1
Synonyms: Rasilez, Aliskiren [INN], Rasilez (TN), Aliskiren (USAN/INN), SPP100, SPP 100, CID5493444, DB01258, D03208, (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide, C41

Molecular Formula: C30H53N3O6Molecular Weight: 551.758320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

• Axitinib
IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide | CAS Registry Number: 319460-85-0
Synonyms: Axitinib [USAN], AG-013736, CID6450551, AG-13736, AG 013736, Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-, N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide, 790713-39-2

Molecular Formula: C22H18N4OSMolecular Weight: 386.469520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N

• Benzene, 5-bromo-1,2,3-trichloro-
IUPAC Name: 5-bromo-1,2,3-trichlorobenzene | CAS Registry Number: 21928-51-8
Synonyms: 5-bromo-1,2,3-trichlorobenzene, 3,4,5-TRICHLOROBROMOBENZENE, AG-E-59994, PubChem23062, ACMC-209fpm, SureCN10872330, KSC497I6L, AC1N46F7, CTK3J7465, MolPort-003-922-629, ACN-S004532, ANW-24632, QC-414, AKOS005258974, AM62698, MCULE-1480064880, OR40034, RP29281, RP29282, AK-34143

Molecular Formula: C6H2BrCl3Molecular Weight: 260.343080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VZUMVBQMJFFYRM-UHFFFAOYSA-N

• Benzoic acid, 2-[(6-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]-
IUPAC Name: 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid | CAS Registry Number: 84627-04-3
Synonyms: Fendizoic acid, 2-(6-HYDROXY-BIPHENYL-3-CARBONYL)-BENZOIC ACID, FENDIZOATE, AC1L4T0A, SureCN9455577, CHEMBL2104248, CTK7J9523, SBB066191, AKOS015855850, AG-K-08573, RL05199, 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid, KB-223513, 2-[(6-hydroxybiphenyl-3-yl)carbonyl]benzoic acid, A840884, 2-(4-oxidanyl-3-phenyl-phenyl)carbonylbenzoic acid, I06-1058, 2-[(4-hydroxy-3-phenylphenyl)-oxomethyl]benzoic acid

Molecular Formula: C20H14O4Molecular Weight: 318.322760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PKHPZNKXOBWFCX-UHFFFAOYSA-N

• Bleomycin Sulfate
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium | CAS Registry Number: 9041-93-4
Synonyms: bleomycin, Bleomycins, Bleomicin, Bleocin, bleomycin a2, bleomycin B2, Bleomycin A(2), Bleomycin B(2), Bleomycine [INN-French], Bleomycinum [INN-Latin], Bleomicina [INN-Spanish], CCRIS 2754, HSDB 3208, NSC 125066, C55H85N17O21S3, LMPK03000007, LS-524, NDC 0015-3010, 11056-06-7, 1400-95-9

Molecular Formula: C55H84N17O21S3+Molecular Weight: 1415.551760 [g/mol]
H-Bond Donor: 20H-Bond Acceptor: 30

InChIKey: OYVAGSVQBOHSSS-WXFSZRTFSA-O

• Bosutinib
IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile | CAS Registry Number: 380843-75-4
Synonyms: Bosutinib (USAN), Bosutinib [USAN], SKI-606, CHEBI:39112, SKI 606, K00615a, CID5328940, D03252, 3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Molecular Formula: C26H29Cl2N5O3Molecular Weight: 530.446160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

• Bucillamine
IUPAC Name: (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid | CAS Registry Number: 65002-17-7
Synonyms: bucillamine, Tiobutarit, Bucilant, Rimatil, Bucilant (TN), Bucillamine (JP15/INN), De-019, SA-96, D01809

Molecular Formula: C7H13NO3S2Molecular Weight: 223.313020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VUAFHZCUKUDDBC-BYPYZUCNSA-N

• Cinchomeronic Acid
IUPAC Name: pyridine-3,4-dicarboxylic acid | CAS Registry Number: 490-11-9
Synonyms: CINCHOMERONIC ACID, Chinchomeronic acid, 3,4-Pyridinedicarboxylic acid, Pyridine-3,4-dicarboxylic acid, pyridine carboxylate, 6e, Oprea1_020498, P64006_ALDRICH, TPC-PY060, NSC178, CHEBI:46860, NSC 178, AIDS020404, AIDS-020404, CID10273, EINECS 207-705-4, ST5307918, InChI=1/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MUYSADWCWFFZKR-UHFFFAOYSA-N

• Ciprofibrate
IUPAC Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid | CAS Registry Number: 52214-84-3
Synonyms: Lipanor, Modalim, Hiperlipen, Hyperlipen, Oroxadin, Ciprol, nchembio790-comp23, Ciprofibratum [INN-Latin], Ciprofibrato [INN-Spanish], Prestwick0_001076, Prestwick1_001076, Prestwick2_001076, Prestwick3_001076, CCRIS 173, Ciprofibrate (USAN/INN), Ciprofibrate [USAN:BAN:INN], Lopac0_000168, BSPBio_001092, MLS002154143, C0330_SIGMA

Molecular Formula: C13H14Cl2O3Molecular Weight: 289.154460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-N

• Cladribine
IUPAC Name: (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 4291-63-8
Synonyms: Leustatin, Chlorodeoxyadenosine, Cladarabine, 2-Chlorodeoxyadenosine, 2-Chloro-2'-deoxyadenosine, Leustatin (TN), 2-CdA, 2 Chlorodeoxyadenosine, 2CdA, 2-Chloro-2'-deoxy-beta-adenosine, MLS000028377, MLS000028484, MLS000759397, MLS001077345, Cladribine (JAN/USAN/INN), Cladribine [USAN:BAN:INN], Cladribine [USAN:INN:BAN], Adenosine, 2-chloro-2'-deoxy, C10H12ClN5O3.C3H8, NSC 105014-F

Molecular Formula: C10H12ClN5O3Molecular Weight: 285.686980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: PTOAARAWEBMLNO-KVQBGUIXSA-N

• Cyclopropylboronic Acid
IUPAC Name: cyclopropylboronic acid | CAS Registry Number: 411235-57-9
Synonyms: Cyclopropylboronic acid, Cyclopropyl Boronic Acid, cyclopropylboranediol, Cyclopropylboronicacid, AG-F-46218, cyclopropyl-boronic acid, Boronocyclopropane, CYPBA, PubChem4014, ACMC-1AMNO, SureCN9068, AC1MC3PW, 1-BORONOCYCLOPROPANE, KSC235O4H, CYCLOPROPANEBORONIC ACID, 597988_ALDRICH, CTK1D5743, B-CYCLOPROPYL-BORONIC ACID, QCR-242, MolPort-000-139-514

Molecular Formula: C3H7BO2Molecular Weight: 85.897480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WLVKDFJTYKELLQ-UHFFFAOYSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Doxorubicin hydrochloride
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 25316-40-9
Synonyms: Adriamycin, Adriacin, Doxil, Rubex, Doxorubicin Hydrochloride, Adriamycin (TN), Adriacin (TN), Prestwick_188, Doxil (TN), Rubex (TN), ADRIAMYCIN, HYDROCHLORIDE, MLS000028393, MLS000049969, MLS000049970, MLS000049971, MLS000070047, MLS000392861, MLS000392871, MLS000392881, MLS000392891

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-N

• Epirubicin hydrochloride
IUPAC Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 56390-09-1
Synonyms: Ellence, Pharmorubicin, Farmorubicin, Epidoxorubicin, Farmorubicina, Pidorubicin, 4'-epi-Adriamycin, Ellence (TN), 4'-epi-Doxorubicin, Ambap5427, E-ADM, Epidoxorubicin hydrochloride, 4'-epi-DX, CCRIS 4477, 4'-Epidoxorubicin hydrochloride, 4'-epi-Adriamycin hydrochloride, MLS001401404, IMI-28, EINECS 260-145-2, Epirubicin hydrochloride [USAN:JAN]

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-FGBSZODSSA-N

• Fludarabine
IUPAC Name: (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 21679-14-1
Synonyms: fludara, FaraA, SQ Fludarabine, 2-Fluoro Ara-A, Fludarabinum [Latin], Fludarabina [Spanish], F-Ara-A, Fludarabine [INN], fludarabine phosphate, 2-F-ara-A, CCRIS 3382, HSDB 6964, MLS000028687, C10H12FN5O4, EINECS 244-525-5, NSC 118218H, NSC 118218, 9-beta-D-Arabinosyl-2-fluoroadenine, 2-Fluoro-9-beta-D-arabinofuranosyladenine, 9-beta-D-Arabinofuranosyl-2-fluoroadenine

Molecular Formula: C10H12FN5O4Molecular Weight: 285.231783 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HBUBKKRHXORPQB-FJFJXFQQSA-N

• Fludarabine Phosphate
IUPAC Name: [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 75607-67-9
Synonyms: fludara, fludarabine phosphate, Fludura, Fludarabine, Beneflur, FAMP, FaraAMP, fluoro-ara-AMP, Fludarabine monophosphate, 2-Fluoro-ARA AMP, Fludara (TN), 2-Fluoro-ara-AMP, F-ara-AMP, Ambap1079, Fludarabine 5'-monophosphate, 2-F-ara-AMP, C10H13FN5O7P, Fludarabine phosphate [USAN:BAN], NSC-312887, Fludarabine phosphate (JAN/USP)

Molecular Formula: C10H13FN5O7PMolecular Weight: 365.211684 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 13

InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N

• Granisetron
IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide | CAS Registry Number: 109889-09-0
Synonyms: granisetron, Granisetron (USAN/INN), CID5284566, C07023, D04370, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

Molecular Formula: C18H24N4OMolecular Weight: 312.409360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MFWNKCLOYSRHCJ-AGUYFDCRSA-N

• Idarubicin hydrochloride
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 57852-57-0
Synonyms: Idarubicin Hcl, Idamycin, Idamycin (TN), idarubicin hydrochloride, Ambap2475, MLS001401448, Idarubicin hydrochloride (JP15/USP), CPD000466355, SAM001246676, SMR000466355, D01747

Molecular Formula: C26H28ClNO9Molecular Weight: 533.954820 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: JVHPTYWUBOQMBP-RVFAQHLVSA-N

• Masitinib
IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide | CAS Registry Number: 790299-79-5
Synonyms: Masivet, AB1010, AB-1010, AB 1010, CHEMBL1908391, CHEBI:63450, AB1010, Masivet, Masitinib, 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide, N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, Masitinib (INN), 4-((4-Methylpiperazin-1-yl)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)-1,3-thiazol-2-yl)amino)phenyl)benzamide, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide, S1064_Selleck, UNII-M59NC4E26P, cc-179, CTK8E8465, HMS3244J04, HMS3244J08, HMS3244J12, ABP000249

Molecular Formula: C28H30N6OSMolecular Weight: 498.642400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WJEOLQLKVOPQFV-UHFFFAOYSA-N

• Mequitazine
IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-8-ylmethyl)phenothiazine | CAS Registry Number: 29216-28-2
Synonyms: mequitazine, Primalan, Virginan, Mircol, Metaplexan, Instotal, Vigigan, Quitadrill, Kitazemin, Mequitazina [Spanish], Kitazemin (TN), Mequitazinum [INN-Latin], Mequitazina [INN-Spanish], mequitazine hydrochloride, Mequitazine (JP15/INN), LM 209, MLS000757058, MLS001201790, NSC303612, Italfarmaco brand of mequitazine

Molecular Formula: C20H22N2SMolecular Weight: 322.467080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HOKDBMAJZXIPGC-UHFFFAOYSA-N

• Methyl 5-bromonicotinate
IUPAC Name: 5-bromo-N-methylpyridine-2-carboxamide | CAS Registry Number: 845305-87-5
Synonyms: N-Methyl 5-bromopicolinamide, 5-Bromo-N-methylpicolinamide, 5-Bromo-N-methylpyridine-2-carboxamide, ACMC-209pv5, SureCN1095318, N-methyl-5-bromopicolinamide, N-Methyl 5-bromopicolinamide,, CTK3E7355, MolPort-001-758-667, ANW-37791, ZINC08699973, AKOS012252335, AG-A-84444, OR11592, AK-61954, KB-58514, B-4163, I14-24890, 5-Bromo-N-methylpyridine-2-carboxamide;N-Methyl 5-bromopicolinamide;N-methyl 5-bromopyridine-2-carboxamide

Molecular Formula: C7H7BrN2OMolecular Weight: 215.047280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OHYCXPXWHPWYFX-UHFFFAOYSA-N

• Methyl 5-chloropyrazine-2-carboxylate
IUPAC Name: methyl 5-chloropyrazine-2-carboxylate | CAS Registry Number: 33332-25-1
Synonyms: Methyl 5-chloro-2-pyrazinecarboxylate, Methyl-5-chloropyrazine-2-carboxylate, 2-chloro-5-carbomethoxy-pyrazine, methyl-5-chlorpyrazin-2-carboxylat, SBB053941, NSC723999, PubChem21394, methyl 5-chloropyrazinoate, ACMC-209i0d, AC1L8Q4T, AC1Q43YC, KSC222G8P, AC1Q43P6, CHEMBL327028, CTK1C2387, MolPort-005-934-940, BH460, ACN-S001449, ACN-S004370, ACT01750

Molecular Formula: C6H5ClN2O2Molecular Weight: 172.569100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CVVMLRFXZPKILB-UHFFFAOYSA-N

• Methyl 6-aminonicotinate
IUPAC Name: methyl 6-aminopyridin-1-ium-3-carboxylate | CAS Registry Number: 36052-24-1
Synonyms: ZINC00167664, CID6933770

Molecular Formula: C7H9N2O2+Molecular Weight: 153.158560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JACPDLJUQLKABC-UHFFFAOYSA-O

• Mitomycin
Synonyms: mitomycin C, Ametycine, Mutamycin, Ametycin, Mitomycin-C, Mitomycinum, Mitozytrex, Mytozytrex, Mitamycin, Mytomycin, Mitocin-C, Mitomycinum C, Mitomycins, Muamycin, Mitocin C, Mito-C, Mitomycin (TN), Muamycin (TN), Mit-C, Mitomycyna C [Polish]

Molecular Formula: C15H18N4O5Molecular Weight: 334.327220 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: NWIBSHFKIJFRCO-WUDYKRTCSA-N

• N,N-Dimethyl-1,4-Phenylenediamine Oxalate
IUPAC Name: 1-N,1-N-dimethylbenzene-1,4-diamine; oxalic acid | CAS Registry Number: 62778-12-5
Synonyms: 409758_ALDRICH, 99-98-9 (Parent), EINECS 263-723-2, CID112942, Bis((p-aminophenyl)dimethylammonium) oxalate, N,N-Dimethyl-p-phenylenediamine oxalate, LS-29602, N,N-Dimethyl-1,4-phenylenediamine oxalate, N,N-Dimethyl-1,4-benzenediamine Ethanedioate, N,N-Dimethyl-p-phenylenediamine Hemioxalate salt, 1,4-Benzenediamine, N,N-dimethyl-, ethanedioate (2:1), 1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (2:1)

Molecular Formula: C18H26N4O4Molecular Weight: 362.423440 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: MNUINXKPLPIOEF-UHFFFAOYSA-N

• Propargylamine
IUPAC Name: prop-2-yn-1-amine | CAS Registry Number: 2450-71-7
Synonyms: 2-Propyn-1-amine, 2-PROPYNYLAMINE, 3-Amino-1-propyne, WLN: Z2UU1, P50900_ALDRICH, NSC80642, ZERO/008038, SBB002647

Molecular Formula: C3H5NMolecular Weight: 55.078500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JKANAVGODYYCQF-UHFFFAOYSA-N

• Quinolinic acid
IUPAC Name: pyridine-2,3-dicarboxylic acid | CAS Registry Number: 89-00-9
Synonyms: quinolinic acid, quinolinate, 2,3-pyridinedicarboxylic acid, Pyridine-2,3-dicarboxylic acid, pyridine-2,3-carboxylate, Spectrum_001525, Tocris-0225, Pyridine-2,3-dicarboxylate, pyridine carboxylate, 6c, Spectrum2_000929, Spectrum3_001502, Spectrum4_000336, Spectrum5_001170, 2,3-pyridinedicarboxylate, Lopac-P63204, 3,4-Pyridinedicarboxylic acid, Lopac0_000989, Oprea1_139764, Pyridine-3,4-dicarboxylic acid, BSPBio_003143

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

• Sodium 2-mercaptoethanesulfonate
IUPAC Name: sodium 2-sulfanylethanesulfonate | CAS Registry Number: 19767-45-4
Synonyms: mesna, Uromitexan, Mesnex, Mistabronco, Mistabron, Mucofluid, Mitexan, Mesnum, coenzyme M, Ifex/Mesnex Kit, Uromitexan (TN), Mesnum [INN-Latin], Mesnex (TN), Prestwick_1005, Ifosfamide/Mesna Kit, Mesna [USAN:BAN:INN], Spectrum2_000752, Spectrum3_001483, Spectrum4_000041, Spectrum5_001174

Molecular Formula: C2H5NaO3S2Molecular Weight: 164.179070 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

• Tandutinib
IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide | CAS Registry Number: 387867-13-2
Synonyms: Tandutinib (USAN/INN), MLN-518, MLN 518, MLN-0518, NSC726292, CID3038522, CT53518, CT 53518, CT-53518, D06005, (4-(6-Methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamide, 1-Piperazinecarboxamide, 4-(6-methoxy-7-(3-(1-piperidinyl)propoxy)-4-quinazolinyl)-N-(4-(1-methylethoxy)phenyl)-

Molecular Formula: C31H42N6O4Molecular Weight: 562.702980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UXXQOJXBIDBUAC-UHFFFAOYSA-N

• Tetrahydrothiopyran-4-one
IUPAC Name: thian-4-one | CAS Registry Number: 1072-72-6
Synonyms: Penthianone, 4-Oxothiane, 4-Thiacyclohexanone, 1-Thiacyclohexan-4-one, Tetrahydrothiopyranone, Tetrahydro-4-thiopyrone, 4-Oxotetrahydrothiopyran, Tetrahydro-4H-thiopyran-4-one, Tetrahydro-1,4-thiapyrone, Tetrahydro-1-thio-4-pyrone, 4H-Thiopyran-4-one, tetrahydro-, Tetrahydro-1-thio-gamma-pyrone, 155160_ALDRICH, 2,3,5,6-Tetrahydro-4-thiopyranone, Tetrahydro-1-thio-.gamma.-pyrone, ALBB-006274, NSC41599, EINECS 214-015-7, NSC 41599, ZINC01716966

Molecular Formula: C5H8OSMolecular Weight: 116.181420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N

• Vandetanib
IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine | CAS Registry Number: 443913-73-3
Synonyms: Zactima, vande-tanib, 2ivu, Vandetanib [INN], Vandetanib (JAN/INN), ZD6474, UNII-YO460OQ37K, CHEBI:49960, ZD 6474, ZD-6474, AZD-6474, CID3081361, NCGC00167513-01, LS-184394, D06407, C452423, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine, 4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

Molecular Formula: C22H24BrFN4O2Molecular Weight: 475.353963 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: UHTHHESEBZOYNR-UHFFFAOYSA-N

• Vandetanib Fumarate
IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine | CAS Registry Number: 338992-00-0
Synonyms: Vandetanib, Zactima, vande-tanib, Vandetanib [INN], 2ivu, Vandetanib (JAN/INN), ZD6474, CHEBI:49960, ZD 6474, ZD-6474, AZD-6474, CID3081361, NCGC00167513-01, LS-184394, D06407, C452423, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine, 4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-, 443913-73-3

Molecular Formula: C22H24BrFN4O2Molecular Weight: 475.353963 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: UHTHHESEBZOYNR-UHFFFAOYSA-N

• 2,6-Difluoro Pyridine
IUPAC Name: 2,6-difluoropyridine | CAS Registry Number: 1513-65-1
Synonyms: 2,6-DIFLUOROPYRIDINE, Pyridine, 2,6-difluoro-, Ambap3086, 2,6-Difluoro-pyridine, CCRIS 1720, TPC-PY089, 233277_ALDRICH, EINECS 216-152-8, NSC331814, NSC 331814, CID73934, ZINC00388533, D230, TL806316, LS-188236

Molecular Formula: C5H3F2NMolecular Weight: 115.080826 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MBTGBRYMJKYYOE-UHFFFAOYSA-N

• 3-Nitro-O-Cresol
IUPAC Name: 2-methyl-3-nitrophenol | CAS Registry Number: 5460-31-1
Synonyms: 2-Methyl-3-nitrophenol, 3-Nitro-o-cresol, Phenol, 2-methyl-3-nitro-, 2-Hydroxy-6-nitrotoluene, 6-Hydroxy-2-nitrotoluene, 106941_ALDRICH, 3-NITRO-2-METHYL PHENOL, NSC25009, EINECS 226-739-0, SBB008485, ZINC00163570, FR-2158, TL8003577, InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GAKLFAZBKQGUBO-UHFFFAOYSA-N

• 3-Amino-6-bromopyridine
IUPAC Name: 6-bromopyridin-3-amine | CAS Registry Number: 13534-97-9
Synonyms: 6-bromopyridin-3-amine, 3-pyridinamine, 6-bromo-, TPC-PY088, Pyridine, 3-amino-6-bromo-, 552844_ALDRICH, ZINC01427060, CID642811, A163, TL8000826, A3636/0154273, InChI=1/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XTHKRYHULUJQHN-UHFFFAOYSA-N

• 3-(Trifluoromethyl)pyrazole
IUPAC Name: 5-(trifluoromethyl)-1H-pyrazole | CAS Registry Number: 20154-03-4
Synonyms: 3-(trifluoromethyl)-1H-pyrazole, 5-(trifluoromethyl)-1H-pyrazole, 3-Trifluoromethylpyrazole, trifluoromethylpyrazole, 3-trifluoromethyl-1h-pyrazole, 1H-Pyrazole, 3-(trifluoromethyl)-, SBB000068, 1087160-38-0, ZINC04243565, PubChem10164, PubChem10423, ACMC-1CMGJ, AC1LXT7P, AC1Q4JHM, AC1Q4JHN, SureCN158876, SureCN255580, 3-(trifluoro methyl)pyrazole, KSC201S9J, 5-Trifluoromethyl-1H-pyrazole

Molecular Formula: C4H3F3N2Molecular Weight: 136.075230 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PYXNITNKYBLBMW-UHFFFAOYSA-N

• 1-Phenylpiperidin-3-ol
IUPAC Name: 1-phenylpiperidin-3-ol | CAS Registry Number: 80710-25-4
Synonyms: 1-PHENYLPIPERIDIN-3-OL, AG-H-24601, 1-Phenyl-3-piperidinol;, 3-Piperidinol,1-phenyl-, AGN-PC-00JUP2, SureCN6628944, CTK5E8033, ANW-45919, AKOS006308710, AK-86725, KB-160368, A9960, W8551, F2167-0850

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VPUSWNUKNDRGNW-UHFFFAOYSA-N

• (1S,2S)-1,2-Diphenyl-1,2-ethanediamine
IUPAC Name: [(1S,2S)-2-azaniumyl-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 29841-69-8
Synonyms: ZINC00155133

Molecular Formula: C14H18N2+2Molecular Weight: 214.306120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: PONXTPCRRASWKW-KBPBESRZSA-P

• 2-Hydroxy-5-trifluoromethylpyridine
IUPAC Name: 5-(trifluoromethyl)-1H-pyridin-2-one | CAS Registry Number: 33252-63-0
Synonyms: Maybridge1_006426, 2H-5TFMP, TPC-PY072, 442801_ALDRICH, 5-(Trifluoromethyl)-2-pyridinol, 2-Hydroxy-5-(trifluoromethyl)pyridine, ZINC00078089, 2-Hydroxy-5-Trifluoromethyl Pyridine, 5-(Trifluoromethyl)-2(1H)-pyridinone, 2(1H)-Pyridinone, 5-(trifluoromethyl)-, ST5407040, SR-01000639040-1

Molecular Formula: C6H4F3NOMolecular Weight: 163.097270 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BYRJSCNPUHYZQE-UHFFFAOYSA-N

• 2-Bromo-5-fluoropyridine
IUPAC Name: 2-bromo-5-fluoropyridine | CAS Registry Number: 41404-58-4
Synonyms: Ambap6179, TPC-PY083, 595675_ALDRICH, ZINC02559898, CID2783171, B212, TL806442, AC-907/25004337

Molecular Formula: C5H3BrFNMolecular Weight: 175.986423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UODINHBLNPPDPD-UHFFFAOYSA-N

• 5-Bromo-2-chloropyridine
IUPAC Name: 5-bromo-2-chloropyridine | CAS Registry Number: 53939-30-3
Synonyms: 2-Chloro-5-bromopyridine, 3-Bromo-6-chloro-pyridine, TPC-PY040, ZERO/006251, 551902_ALDRICH, ZINC00404153, CID2734414, B197, TL806446

Molecular Formula: C5H3BrClNMolecular Weight: 192.441020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PEAOEIWYQVXZMB-UHFFFAOYSA-N

• 2-Aminophenylboronic Acid HCl
IUPAC Name: N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide | CAS Registry Number: 5570-18-3
Synonyms: ZINC00435799, BIM-0025040.P001

Molecular Formula: C18H21N3O3Molecular Weight: 327.377640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PTSWLQVBIWPGOF-JAIQZWGSSA-N

• (1R,2S)-2-Amino-1,2-diphenylethanol
IUPAC Name: (1R,2S)-2-amino-1,2-diphenylethanol | CAS Registry Number: 23190-16-1
Synonyms: (1R,2S)-(-)-2-Amino-1,2-diphenylethanol, (1R,2S)-2-Amino-1,2-diphenyl-ethanol, PubChem5986, AC1LEXYY, AC1Q59PK, SureCN1131702, KSC201S9N, 331899_ALDRICH, CHEMBL442934, Jsp004682, CTK1A1996, GEJJWYZZKKKSEV-UONOGXRCSA-, MolPort-001-794-198, KST-1A2944, ACN-S001453, ACN-S003457, ACT06724, ACT07644, ANW-25077, AR-1A1156

Molecular Formula: C14H15NOMolecular Weight: 213.275000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GEJJWYZZKKKSEV-UONOGXRCSA-N

• 4-Nitrobenzeneboronic acid
IUPAC Name: (4-nitrophenyl)boronic acid | CAS Registry Number: 24067-17-2
Synonyms: 4-Nitrophenylboronic acid, Phenylboronic Acid, 9, 673854_ALDRICH, BM128, TL8007151

Molecular Formula: C6H6BNO4Molecular Weight: 166.927140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NSFJAFZHYOAMHL-UHFFFAOYSA-N

• 3,4,5-Trichlorophenylboronic Acid
IUPAC Name: (3,4,5-trichlorophenyl)boronic acid | CAS Registry Number: 862248-93-9
Synonyms: 3,4,5-Trichlorophenylboronic acid, (3,4,5-Trichlorophenyl)boronic acid, (3,4,5-Trichlorophenyl)boronicacid, AG-H-47811, PubChem1886, SureCN2521376, KSC494K8R, CTK3J4588, MolPort-002-041-300, ACT04774, 3,4,5-Trichlorophenylboronic acid,, ANW-38288, RB3010, SBB071092, AKOS015849009, AB13499, AC-6998, LS10034, RP27591, AK-44974

Molecular Formula: C6H4BCl3O2Molecular Weight: 225.264760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KTEXVCMJBYWOSG-UHFFFAOYSA-N

• 2,5-Dichloropyridine
IUPAC Name: 2,5-dichloropyridine | CAS Registry Number: 16110-09-1
Synonyms: 2,5-DICHLOROPYRIDINE, Pyridine, 2,5-dichloro-, Ambap3096, 2,5-Dichloro-pyridine, 2,5-Dichloro Pyridine, WLN: T6NJ BG EG, CCRIS 1718, TPC-PY069, 193763_ALDRICH, EINECS 240-278-2, NSC528661, NSC 528661, CID27685, BRN 0108886, ZINC00406964, D275, LS-131362, TL8001225, 5-20-05-00416 (Beilstein Handbook Reference), InChI=1/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/h1-3

Molecular Formula: C5H3Cl2NMolecular Weight: 147.990020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GCTFDMFLLBCLPF-UHFFFAOYSA-N

• 5-Bromonicotinic acid ethyl ester
IUPAC Name: ethyl 5-bromopyridine-3-carboxylate | CAS Registry Number: 20986-40-7
Synonyms: Ethyl 5-bromonicotinate, Maybridge1_006079, TPC-PY053, 5-bromonicotinic acid ethyl ester, ZERO/005646, NSC363896, ZINC00071423, TL8001733, SR-01000631772-1

Molecular Formula: C8H8BrNO2Molecular Weight: 230.058620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PCPIANOJERKFJI-UHFFFAOYSA-N

• 2-Chloro-5-cyanopyridine
IUPAC Name: 6-chloropyridine-3-carbonitrile | CAS Registry Number: 33252-28-7
Synonyms: 2-chloro-5-cyano-pyridine, TPC-PY041, 510734_ALDRICH, 2-Chloropyridine-5-carbonitrile, 6-Chloro-3-pyridinecarbonitrile, ZINC00166496, CID5152094, C179, TL8002515, 11X-0845

Molecular Formula: C6H3ClN2Molecular Weight: 138.554420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ORIQLMBUPMABDV-UHFFFAOYSA-N

• 4-Bromo-2-nitrobenzaldehyde
IUPAC Name: 4-bromo-2-nitrobenzaldehyde | CAS Registry Number: 5551-12-2
Synonyms: 4-Bromo-2-nitro-benzaldehyde, 908334-04-3, PubChem4178, AC1LCWSU, 2-Nitro-4-bromobenzaldehyde, KSC497O6B, 4-Bromo-2-nitrobenzaldehyde,, 2-nitroo-4-bromo-benzaldehyde, ACMC-2097i2, CTK3J7760, MolPort-002-317-201, ACT03491, ANW-13992, CL8337, SBB063071, ZINC14989270, 2-NITRO-4-BROMO-BENZALDEHYDE, AKOS015835437, AB06155, AG-F-94167

Molecular Formula: C7H4BrNO3Molecular Weight: 230.015560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GSXUXSXBEUJRAJ-UHFFFAOYSA-N


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