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1 to 50 of 94 Products/Chemicals (Click for related suppliers)  Page: [1] 2 >> Next 50 Results
• A 21960
IUPAC Name: ethyl 2-chloro-3-oxobutanoate | CAS Registry Number: 609-15-4
Synonyms: Ethyl 2-chloroacetoacetate, Ethyl-2-chloracetoacetate, Ethyl 2-chloro-3-oxobutanoate, Ethyl alpha-chloroacetoacetate, 2-Cl-ACE, CCRIS 6889, E16902_ALDRICH, 2-Chloroacetoacetic acid ethyl ester, Ethyl .alpha.-chloroacetoacetate, 10895_FLUKA, 22811_FLUKA, Acetoacetic acid, 2-chloro-, ethyl ester, EINECS 210-180-4, 2-Chloro-3-oxobutyric acid ethyl ester, Butanoic acid, 2-chloro-3-oxo-, ethyl ester, NSC 78426, 2-Chloro-3-oxobutanoic acid, ethyl ester, NSC78426, ETHYL 2-CHLORO-3-OXO-BUTANOATE, LS-188170

Molecular Formula: C6H9ClO3Molecular Weight: 164.586860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RDULEYWUGKOCMR-UHFFFAOYSA-N

• Alogliptin Benzoate
IUPAC Name: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile; benzoic acid | CAS Registry Number: 850649-62-6
Synonyms: Alogliptin benzoate, Alogliptin benzoate (USAN), SYR-322, D06553

Molecular Formula: C25H27N5O4Molecular Weight: 461.512980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: KEJICOXJTRHYAK-XFULWGLBSA-N

• Apixaban
IUPAC Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide | CAS Registry Number: 503612-47-3
Synonyms: Apixaban (USAN/INN), 2p16, BMS-562247, CID10182969, BMS-562247-01, D03213, GG2

Molecular Formula: C25H25N5O4Molecular Weight: 459.497100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: QNZCBYKSOIHPEH-UHFFFAOYSA-N

• Asenapine Maleate
Synonyms: trans-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole maleate, CTK5F5413, AG-I-03412

Molecular Formula: C21H20ClNO5Molecular Weight: 401.840200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: GMDCDXMAFMEDAG-CTHHTMFSSA-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

• Benzoylacetone
IUPAC Name: 1-phenylbutane-1,3-dione | CAS Registry Number: 93-91-4
Synonyms: Acetoacetophenone, 1-Benzoylacetone, Acetylbenzoylmethane, 2-Acetylacetophenone, 1-Benzoyl-2-propanone, 2-Propanone, benzoyl-, 1,3-Butanedione, 1-phenyl-, 1-Phenylbutane-1,3-dione, alpha-Acetylacetophenone, .alpha.-Acetylacetophenone, Benzoyl-aceton [German], 1-PHENYL-1,3-BUTANEDIONE, 1-Phenyl-1,3-butanedion, omega-ACETYLACETOPHENONE, B11907_ALDRICH, NSC 4015, 12830_FLUKA, EINECS 202-286-4, CID7166, NSC4015

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CVBUKMMMRLOKQR-UHFFFAOYSA-N

• Cobicistat
IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate | CAS Registry Number: 1004316-88-4
Synonyms: UNII-LW2E03M5PG, Cobicistat (GS-9350), GS 9350, CHEBI:72291, GS-9350, cobicistatum, Cobicistat [USAN], Tybost (TN), Cobicistat [USAN:INN], SureCN2736227, LW2E03M5PG, Cobicistat (JAN/USAN/INN), CHEMBL2095208, QCR-199, GS9350, CS-0742, HY-10493, D09881, Cobicistat|1004316-88-4|GS 9350|GS9350, S2900, GS-9350, 1004316-88-4

Molecular Formula: C40H53N7O5S2Molecular Weight: 776.022720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: ZCIGNRJZKPOIKD-CQXVEOKZSA-N

• D-Serine
IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acid | CAS Registry Number: 312-84-5
Synonyms: D-serine, serine, Serine D-form, L-serine, DL-Serine, D-Serin, L-ser, beta-Hydroxyalanine, 1pb8, nchembio.145-comp14, SERINE (L), Biomol-NT_000197, Lopac0_001088, S4250_SIGMA, BPBio1_001226, CHEBI:16523, EINECS 206-229-4, NSC 77689, AIDS071644, AIDS-071644

Molecular Formula: C3H7NO3Molecular Weight: 105.092580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-N

• Elvitegravir
IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 697761-98-1
Synonyms: GS-9137, D06677

Molecular Formula: C23H23ClFNO5Molecular Weight: 447.883823 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: JUZYLCPPVHEVSV-UHFFFAOYSA-N

• ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE 97%
IUPAC Name: ethyl 5-nitro-1-benzofuran-2-carboxylate | CAS Registry Number: 69604-00-8
Synonyms: 678716_ALDRICH, MolPort-002-498-140, ZINC01236715, Ethyl 5-nitrobenzofuran-2-carboxylate, BB-0814, CID1382954, ST5405992, 5-Nitrobenzofuran-2-carboxylic acid ethyl ester

Molecular Formula: C11H9NO5Molecular Weight: 235.192860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ATHBGWVHAWGMAL-UHFFFAOYSA-N

• Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
IUPAC Name: ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate | CAS Registry Number: 473927-64-9
Synonyms: ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate, SureCN1995178, CTK8C2027, MolPort-021-783-244, ANW-67643, AKOS015951077, AK-84869, AB1008471, KB-253760, FT-0687615, Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate; 1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester

Molecular Formula: C22H20IN3O4Molecular Weight: 517.316370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DOONVRNBSUAOKN-UHFFFAOYSA-N

• L-Valinol
IUPAC Name: 2-amino-3-methylbutan-1-ol | CAS Registry Number: 2026-48-4
Synonyms: Valinol, DL-Valinol, 2-Amino-3-methyl-1-butanol, 1-Butanol, 2-amino-3-methyl-,, 184837_ALDRICH, L-2-Amino-3-methylbutan-1-ol, 1-Butanol, 2-amino-3-methyl-, (1)-2-Amino-3-methylbutan-1-ol, EINECS 217-975-5, EINECS 240-425-0, NSC322922, (S)-(+)-2-Amino-3-methyl-1-butanol, (R)-(-)-2-Amino-3-methyl-1-butanol, 1-Butanol, 2-amino-3-methyl-, (R)-, 1-Butanol, 2-amino-3-methyl-, (.+/-.)-, 16369-05-4, 473-75-6

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NWYYWIJOWOLJNR-UHFFFAOYSA-N

• Linagliptin
IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione | CAS Registry Number: 668270-12-0
Synonyms: Ondero, CHEBI:499873, BI-1356-BS, BI 1356, BI-1356, CID10096344, CID 10096344, (R)-8-(3-Amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione, (R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 1H-Purine-2,6-dione, 8-((3R)-3-amino-1-piperidinyl)-7-(2-butynyl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-

Molecular Formula: C25H28N8O2Molecular Weight: 472.542220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: LTXREWYXXSTFRX-QGZVFWFLSA-N

• Mirabegron
IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide | CAS Registry Number: 223673-61-8
Synonyms: Mirabegron (JAN), CID9865528, D09535, 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]acetamide

Molecular Formula: C21H24N4O2SMolecular Weight: 396.505860 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: PBAPPPCECJKMCM-IBGZPJMESA-N

• N-(4-Chlorophenyl)-N'-cyanoguanidine
IUPAC Name: 2-(4-chlorophenyl)-1-cyanoguanidine | CAS Registry Number: 1482-62-8
Synonyms: 1-(p-Chlorophenyl)dicyanodiamide, NSC74463, Maybridge1_004360, WLN: NCMYUM&MR DG, 4-Chlor-phenyl-dicyandiamin, 1-(p-Chlorophenyl)-3-cyanoguanidin, NCIStruc1_000255, NCIStruc2_000003, EINECS 216-043-5, HMS553O06, 1-(p-Chlorophenyl)-3-cyanoguanidine, MolPort-002-904-756, MolPort-003-802-730, NSC 74463, 1-(4-Chlorophenyl)-3-cyanoguanidine, 4-Chlor-phenyl-dicyandiamin [German], AIDS125495, AIDS-125495, CID15140, Guanidine, N-(4-chlorophenyl)-N'-cyano-

Molecular Formula: C8H7ClN4Molecular Weight: 194.620980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JMEJOUCPQDFPFK-UHFFFAOYSA-N

• N-[2]pyridyl-B-Alanin-Ethyl Ester
IUPAC Name: ethyl 3-(pyridin-2-ylamino)propanoate | CAS Registry Number: 103041-38-9
Synonyms: Ethyl 3-(pyridin-2-ylamino)propanoate, Ethyl3-(pyridin-2-ylamino)propanoate, ACMC-20aqkc, PubChem18107, SureCN1602631, AGN-PC-00J94D, ALA001, CTK0H2463, MolPort-005-942-340, N-[2]pyridyl-B-alanin-ethyl ester, SC3891, AKOS005266613, AC-7902, AG-D-13230, N-2-Pyridinyl-beta-alanine ethyl ester, QC-6151, RP25320, AK-31676, BR-31676, Ethyl 3-((pyridin-2-yl)amino)propanoate

Molecular Formula: C10H14N2O2Molecular Weight: 194.230360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UITNIDFEANEWPC-UHFFFAOYSA-N

• N-Fluoro-N'-chloromethyltriethylenediaminebis(tetrafluoroborate)
IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane | CAS Registry Number: 140681-55-6
Synonyms: ZINC02512248, CID2724934

Molecular Formula: C7H14ClFN2+2Molecular Weight: 180.650863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZQGDSZPGKPJABN-UHFFFAOYSA-N

• N-Fluorobenzenesulfonimide
IUPAC Name: N-fluoro-N-phenylsulfonylbenzenesulfonamide | CAS Registry Number: 133745-75-2
Synonyms: NFSI, N-Fluorodibenzenesulfonimide, MLS001359884, 392715_ALDRICH, N-Fluorodi(benzenesulfonyl)amine, ZINC00156389, SMR001224404, N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide, 3S100660, 3S210807

Molecular Formula: C12H10FNO4S2Molecular Weight: 315.340503 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RLKHFSNWQCZBDC-UHFFFAOYSA-N

• NMDA
IUPAC Name: (2R)-2-(methylamino)butanedioic acid | CAS Registry Number: 6384-92-5
Synonyms: N-methyl-D-aspartic acid, N-Methylaspartate, N-Methyl-D-aspartate, Methyl aspartic acid, N-Methyl aspartic acid, Spectrum_001456, Tocris-0114, Aspartic acid, N-methyl-, Spectrum2_001580, Spectrum3_001601, Spectrum4_000318, Spectrum5_001209, Lopac-M-3262, D-Aspartic acid, N-methyl-, (NMDA), Lopac0_000775, BSPBio_003201, C5H9NO4, KBioGR_000936, KBioSS_001936

Molecular Formula: C5H9NO4Molecular Weight: 147.129260 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: HOKKHZGPKSLGJE-GSVOUGTGSA-N

• PYRIDINE,2-BROMO-4-(PIPERIDIN-1-YLMETHYL)-
IUPAC Name: 2-bromo-4-(piperidin-1-ylmethyl)pyridine | CAS Registry Number: 88046-02-0
Synonyms: 2-bromo-4-(1-piperidinomethyl)pyridine, pyridine, 2-bromo-4-(1-piperidinylmethyl)-, 2-Bromo-4-(1-piperidinylmethyl)pyridine, zlchem 945, AGN-PC-00NFTD, CTK5I9096, ZLD0411, MolPort-005-938-610, 2-bromo-4-(piperidinomethyl)pyridine, AKOS015965221, AG-C-21418, AG-H-54988, AK112565, 2-bromo-4-(1-piperidinylmethyl) pyridine, 2-Bromo-4-(piperidin-1-ylmethyl)pyridine, KB-168885, KB-228752, 2-bromo-4-((piperidin-1-yl)methyl)pyridine, 2-Bromo-4-[(piperidin-1-yl)methyl]pyridine;

Molecular Formula: C11H15BrN2Molecular Weight: 255.154200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZTUBSWOWTOUXJJ-UHFFFAOYSA-N

• Reboxetine mesylate
IUPAC Name: (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid | CAS Registry Number: 98769-84-7
Synonyms: Reboxetine mesilate, Edronax, PNU 155950E, FCE 20124, DSSTox_CID_25690, DSSTox_RID_81062, DSSTox_GSID_45690, ( inverted exclamation markA)-(2r*)-2-[(ar*)-a-(o-ethoxyphenoxy)benzyl]morpholine methanesulfonate, (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine; methanesulfonic acid, CAS-98769-84-7, (2R)-2-[(R)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine; methanesulfonic acid, Reboxetine mesylate;, Vestra (TN), Reboxetine;Reboxitine;, AC1L2RIX, AC1Q6WCV, 71620-89-8, UNII-L94J81YNNY, Reboxetine mesylate (USAN), (+/-)-Reboxetine Mesylate

Molecular Formula: C20H27NO6SMolecular Weight: 409.496480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: CGTZMJIMMUNLQD-STYNFMPRSA-N

• Teneligliptin
IUPAC Name: [(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone | CAS Registry Number: 760937-92-6
Synonyms: CHEMBL2147777, Teneligliptin (INN), SureCN161778, UNII-28ZHI4CF9C, Teneligliptin|760937-92-6, CS-0882, HY-14806, D08616, {(2s,4s)-4-[4-(3-Methyl-1-Phenyl-1h-Pyrazol-5-Yl)piperazin-1-Yl]pyrrolidin-2-Yl}(1,3-Thiazolidin-3-Yl)methanone, M51

Molecular Formula: C22H30N6OSMolecular Weight: 426.578200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WGRQANOPCQRCME-PMACEKPBSA-N

• trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
Synonyms: SureCN3152476, KB-81196

Molecular Formula: C17H14ClNO2Molecular Weight: 299.751560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OOUVAHYYJVOIIB-CZUORRHYSA-N

• (2-PYRIDINYLMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE
IUPAC Name: triphenyl(pyridin-2-ylmethyl)phosphanium;chloride | CAS Registry Number: 38700-15-1
Synonyms: CTK1B4704, Phosphonium, triphenyl(2-pyridinylmethyl)-, chloride

Molecular Formula: C24H21ClNPMolecular Weight: 389.857002 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IUNXOGIHFLDANL-UHFFFAOYSA-M

• (R)-3-Amino-Piperidine dihydrochloride
IUPAC Name: (3R)-piperidin-3-amine;dihydrochloride | CAS Registry Number: 334618-23-4
Synonyms: (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE, (R)-(-)-3-Aminopiperidine dihydrochloride, (R)-3-Piperidinamine dihydrochloride, (R)-3-Aminopiperidine 2hcl, R-3-Aminopiperidine Dihydrochloride, (R)-(-)-3-Aminopiperidine 2HCl, (r)-piperidin-3-amine dihydrochloride, (3R)-piperidin-3-amine dihydrochloride, (R)-3-AminopiperidineDihydrochloride, PubChem3013, SureCN306090, KSC495Q2L, 15626_ALDRICH, 666297_ALDRICH, 15626_FLUKA, CTK3J5825, MolPort-000-000-370, R-3-AMINO PIPERIDINE DIHCL, ACN-S003802, ACT04891

Molecular Formula: C5H14Cl2N2Molecular Weight: 173.084060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: GGPNYXIOFZLNKW-ZJIMSODOSA-N

• (R)-3-Boc-aminopiperidine
IUPAC Name: tert-butyl N-[(3R)-piperidin-3-yl]carbamate | CAS Registry Number: 309956-78-3
Synonyms: R-3-(Boc-amino)piperidine, FS011283, TL8002374

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WUOQXNWMYLFAHT-MRVPVSSYSA-N

• (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol
IUPAC Name: (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol | CAS Registry Number: 877397-65-4
Synonyms: (S)-1-(2,6-dichloro-3-fluorophenyl)ethanol, (1S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol, AG-H-54132, PubChem17375, AC1Q29ME, SureCN1581742, KSC497A2N, CTK3J7026, MolPort-005-313-574, ANW-52455, WTI-10557, ZINC12506507, AKOS015840146, LS30132, QC-1071, RP12156, AK-36674, BR-36674, KB-03511, AM20060441

Molecular Formula: C8H7Cl2FOMolecular Weight: 209.044983 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JAOYKRSASYNDGH-BYPYZUCNSA-N

• (S)-N-Glycidylphthalimide
IUPAC Name: 2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione | CAS Registry Number: 161596-47-0
Synonyms: (S)-(+)-N-(2,3-Epoxypropyl)phthalimide, 2-[(2S)-oxiran-2ylmethyl]-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-[(2S)-2-oxiranylmethyl]-, PubChem21402, AC1LEX2B, 671606_ALDRICH, ISO076, MolPort-003-985-039, AMX10111, ANW-21945, RW2424, ZINC00119624, (S)-N-(2,3-Epoxypropyl)phthalimide, AM84540, LS40034, RL02069, AK-45100, FT-0686960, G0328, X1032

Molecular Formula: C11H9NO3Molecular Weight: 203.194060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DUILGEYLVHGSEE-ZETCQYMHSA-N

• (S)-tert-butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate | CAS Registry Number: 401564-36-1
Synonyms: (S)-tert-Butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 4-oxo-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl ester, (2S)-, SCHEMBL1335681, MolPort-035-757-961, ULXKZRPRLJGLDM-JTQLQIEISA-N, CS-M1874, AKOS024464793, AK163795, ST24036467, (2S)-4-Oxo-2-(thiazolidine-3-carbonyl)-pyrrolidine-1-carboxylic Acid Tert-butyl Ester, 3-[(2S)-1-(1,1-dimethylethyloxycarbonyl)-4-oxopyrrolidin-2-ylcarbonyl]thiazolidine

Molecular Formula: C13H20N2O4SMolecular Weight: 300.373900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ULXKZRPRLJGLDM-JTQLQIEISA-N

• 1-(3-methyl-1-phenyl-1H-pyrazol-5-yl)Piperazine
IUPAC Name: 1-(5-methyl-2-phenylpyrazol-3-yl)piperazine | CAS Registry Number: 401566-79-8
Synonyms: 1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine, SureCN2706921, QC-8845, AK137365, KB-213938

Molecular Formula: C14H18N4Molecular Weight: 242.319520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FBCUUXMVVOANMV-UHFFFAOYSA-N

• 1-(3-Trifluoromethylphenyl)piperazine monohydrochloride
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride | CAS Registry Number: 16015-69-3
Synonyms: TFMPP, TFMPP hydrochloride, (TFMPP), MLS000758206, MLS001424035, SPECTRUM1503633, T8948_SIGMA, EINECS 240-153-2, SBB003064, NCGC00095853-01, CPD000449305, SAM001247043, SMR000449305, LS-192364, TL8001212, 1-(3-(Trifluoromethyl)phenyl)piperazinium chloride, N-[3-(Trifluoromethyl)phenyl]piperazine hydrochloride, N-(3-TRIFLUOROMETHYLPHENYL)PIPERAZINE HYDROCHLORIDE, 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperazine hydrochloride

Molecular Formula: C11H14ClF3N2Molecular Weight: 266.690470 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DGNLGWJZZZOYPT-UHFFFAOYSA-N

• 1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one
IUPAC Name: 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one | CAS Registry Number: 473927-69-4
Synonyms: SureCN1919863, CTK8B4375, MolPort-021-783-243, ANW-44871, AKOS015951076, AK-84867, BD227887, AB1008470, KB-214900, Y6560, N-(4-Iodophenyl)-3-morpholino-5,6-dihydro-2H-pyridin-2-one, 1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one; N-(4-Iodophenyl)-3-morpholino-5,6-dihydro-2Hpyridin-2-one

Molecular Formula: C15H17IN2O2Molecular Weight: 384.212150 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UWWMPOYYIGCWEH-UHFFFAOYSA-N

• 1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
IUPAC Name: ethyl 1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-pyrazolo[3,4-c]pyridine-3-carboxylate | CAS Registry Number: 503614-56-0
Synonyms: Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate, SureCN1996713, CTK8C3865, ANW-70725, AKOS016007843, AK105160, KB-251866, Y6612, Ethyl1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

Molecular Formula: C16H17N3O4Molecular Weight: 315.323880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PSOYDCQSXGQZKM-UHFFFAOYSA-N

• 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine
IUPAC Name: 8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione | CAS Registry Number: 853029-57-9
Synonyms: 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-1h-purine-2,6-dione, 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione, SureCN3919837, AKOS016004953, RL05286, AK102434, AM20090703, X4789, 1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-, 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione

Molecular Formula: C20H17BrN6O2Molecular Weight: 453.291980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: RCZJXCXNYGHNSR-UHFFFAOYSA-N

• 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane
IUPAC Name: 1-[2-(4-chlorophenyl)ethylamino]propan-2-ol | CAS Registry Number: 847063-13-2
Synonyms: 1-((4-Chlorophenethyl)amino)propan-2-ol, SureCN937041, AGN-PC-00BOT2, CTK5F2972, MolPort-003-987-288, ANW-53887, AKOS010638692, 1-(4-chlorophenethylamino)propan-2-ol, AG-H-38767, AK-81464, KB-151325, TL8005527, 2-Propanol,1-[[2-(4-chlorophenyl)ethyl]amino]-, 2-Propanol, 1-[[2-(4-chlorophenyl)ethyl]amino]-, I14-10523, 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane;

Molecular Formula: C11H16ClNOMolecular Weight: 213.703840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: URWKQIHYBHDHPD-UHFFFAOYSA-N

• 1-N-Boc-Piperazine
IUPAC Name: tert-butyl piperazine-1-carboxylate | CAS Registry Number: 57260-71-6
Synonyms: 1-Boc-piperazine, 1-N-Boc-piperazine, t-Butyl 1-piperazincarboxylate, N-t-Butoxycarbonylpiperazine, t-Butyl 1-piperaziencarboxylate, 343536_ALDRICH, ARONIS005638, tert-butyl piperazine-1-carboxylate, 15502_FLUKA, ST5210645, TL8003687, 1-piperazinecarboxylic acid, 1,1-dimethylethyl ester, InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N

• 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
Synonyms: 11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, SureCN3152103, CTK8B9660, ANW-62855, AKOS016004062, AK101594, KB-64801

Molecular Formula: C17H12ClNO2Molecular Weight: 297.735680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KXKUDCTZEMWVDQ-UHFFFAOYSA-N

• 2(1H)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl)
IUPAC Name: 5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one | CAS Registry Number: 536760-29-9
Synonyms: 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one, 3-CHLORO-5,6-DIHYDRO-1-(4-NITROPHENYL)-2(1H)-PYRIDINONE, SureCN8243895, AGN-PC-00E57D, CTK8B4270, MolPort-021-783-247, ANW-44563, AKOS015951085, QC-7558, AK-89864, BD227742, KB-70605, AB1008474, X6168, 2(1H)-Pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-

Molecular Formula: C11H9ClN2O3Molecular Weight: 252.653760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DOUAPYNOGMHPFD-UHFFFAOYSA-N

• 2,3,4,9-tetrahydro-3-hydroxy-1H-Carbazole-6-carbonitrile
IUPAC Name: 6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile | CAS Registry Number: 147009-31-2
Synonyms: SCHEMBL7029893

Molecular Formula: C13H12N2OMolecular Weight: 212.252 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RIFWESKUOISRKX-UHFFFAOYSA-N

• 2,3-DIHYDRO-1-OXO ASENAPINE
Synonyms: AGN-PC-0CJPU5, SureCN875920, KB-73428, FT-0667003, 5-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 5-chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

Molecular Formula: C17H12ClNO2Molecular Weight: 297.735680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UEFINICFHHBHJQ-UHFFFAOYSA-N

• 2,4-Difluoro-5-Iodobenzoic Acid
IUPAC Name: 2,4-difluoro-5-iodobenzoic acid | CAS Registry Number: 161531-51-7
Synonyms: 2,4-DIFLUORO-5-IODOBENZOIC ACID, SureCN1045113, CTK0A9736, MolPort-008-155-395, ANW-65866, AKOS005255533, Benzoic acid, 2,4-difluoro-5-iodo-, AG-E-11237, MCULE-9804470465, AK-87448, KB-82799

Molecular Formula: C7H3F2IO2Molecular Weight: 283.998796 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OSBABFNFGBPWGL-UHFFFAOYSA-N

• 2,4-difluorobenzoic acid
IUPAC Name: 2,4-difluorobenzoic acid | CAS Registry Number: 1583-58-0
Synonyms: 2,4-Difluorobenzoic acid, Ambap1792, 2,4-Difluoro-benzoic acid, Benzoic acid, 2,4-difluoro-, 2,4-DIFLUOROBENZOATE, 264296_ALDRICH, NSC10312, CID74102, JRD-0116, EINECS 216-430-9, TL806420, InChI=1/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NJYBIFYEWYWYAN-UHFFFAOYSA-N

• 2,5-Dichloroacetophenone
IUPAC Name: 1-(2,5-dichlorophenyl)ethanone | CAS Registry Number: 2476-37-1
Synonyms: 2',5'-Dichloroacetophenone, Acetophenone, 2',5'-dichloro-, Ethanone, 1-(2,5-dichlorophenyl)-, 183199_ALDRICH, NSC6308, NSC 6308, EINECS 219-605-8, ZINC01693393, Acetophenone, 2',5'-dichloro- (8CI), ST5406644

Molecular Formula: C8H6Cl2OMolecular Weight: 189.038640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CYNFEPKQDJHIMV-UHFFFAOYSA-N

• 2-(1-Cyano-3-Methyl-Butyl)-,1,3-Diethyl Ester-Propanedioic Acid
IUPAC Name: diethyl 2-(1-cyano-3-methylbutyl)propanedioate | CAS Registry Number: 186038-82-4
Synonyms: Diethyl 2-(1-cyano-3-methylbutyl)malonate, AGN-PC-00ASXU, CTK4D9144, AG-E-35262, QC-8850, AK137358, KB-11985, DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE, diethyl 2-[(1S)-1-cyano-3-methylbutyl]propanedioate, 1-cyano-3-methyl butyl-Propanedioic acid diethyl ester, Propanedioic acid,2-(1-cyano-3-methylbutyl)-, 1,3-diethyl ester, Propanedioicacid, (1-cyano-3-methylbutyl)-, diethyl ester (9CI);2-Ethoxycarbonyl-3-cyano-5-methylhexanoic acid ethyl ester;Diethyl (1-cyano-3-methylbutyl)malonate;

Molecular Formula: C13H21NO4Molecular Weight: 255.310140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PZGIWBPMOSUKEV-UHFFFAOYSA-N

• 2-(4-Cyanophenylamino)acetic acid
IUPAC Name: 2-(4-cyanoanilino)acetic acid | CAS Registry Number: 42288-26-6
Synonyms: n-(4-cyanophenyl)glycine, N-(4-CYANO-PHENYL)-GLYCINE, 2-[(4-cyanophenyl)amino]acetic Acid, N-(4-cyanophenyl)-Glycine, SBB064242, 2-((4-Cyanophenyl)amino)acetic acid, AC1LGAAU, PubChem18108, SureCN361315, AC1Q4RG2, Oprea1_114543, KSC235A9F, Glycine, N-(4-cyanophenyl)-, 2-(4-cyanoanilino)acetic acid, AC1Q761M, CTK1D5092, MolPort-004-371-461, [(4-cyanophenyl)amino]acetic acid, ANW-50338, AR-1J9135

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KJRQMXRCZULRHF-UHFFFAOYSA-N

• 2-(5-CHLORO-2-PHENOXYPHENYL)ACETIC ACID
IUPAC Name: 2-(5-chloro-2-phenoxyphenyl)acetic acid | CAS Registry Number: 70958-20-2
Synonyms: 2-(5-chloro-2-phenoxyphenyl)acetic acid, 5-Chloro-2-phenoxyphenylacetic acid, AG-G-77532, 2-(5-chloro-2-phenoxyphenyl)aceticacid, chlorophenoxyphenylaceticacid, SureCN7400584, CHEMBL29360, CTK5D3237, MolPort-001-758-291, ANW-50205, SBB102603, (5-chloro-2-phenoxyphenyl)acetic acid, AKOS005073388, LA-0005, RP14798, AK-40024, BR-40024, KB-66895, A9324, AM20041058

Molecular Formula: C14H11ClO3Molecular Weight: 262.688340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PKMKNEIUKHPJAX-UHFFFAOYSA-N

• 2-(chloromethyl)-4-methylquinazoline
IUPAC Name: 2-(chloromethyl)-4-methylquinazoline | CAS Registry Number: 109113-72-6
Synonyms: NSC48971, AC1Q2GNK, SureCN637147, AC1L67JE, CTK6H6946, MolPort-004-325-799, ANW-47823, NSC-48971, QC-233, ZINC01681137, 2-(chloromethyl)-4-methyl-quinazoline, AKOS000165603, AG-B-87034, RP25207, 2-CHLOROMETHYL-4-METHYLQUINAZOLINE, AK-41056, BR-41056, KB-15480, X4792, EN300-29653

Molecular Formula: C10H9ClN2Molecular Weight: 192.644860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UHCUBOJGMLASBY-UHFFFAOYSA-N

• 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]Benzonitrile
IUPAC Name: 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile | CAS Registry Number: 865758-96-9
Synonyms: 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile, SureCN389683, CTK8B6401, ANW-53401, AKOS015999478, AK-93373, KB-219971, AM20090701, FT-0664651, 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile, Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-

Molecular Formula: C13H10ClN3O2Molecular Weight: 275.690400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BVUJISIVAHYNLI-UHFFFAOYSA-N

• 2-Acetyl-4-Methyl Pyridine
IUPAC Name: 1-(4-methylpyridin-2-yl)ethanone | CAS Registry Number: 59576-26-0
Synonyms: 2-Acetyl-4-methylpyridine, 1-(4-methylpyridin-2-yl)ethanone, 1-(4-Methyl-2-pyridinyl)ethanone, 2-Acetyl-4-picoline, SBB055566, 1-(4-Methyl-pyridin-2-yl)-ethanone, Ethanone, 1-(4-methyl-2-pyridinyl)-, PubChem4045, ACMC-209meh, AC1Q5FZN, SureCN397492, AC1LBV08, KSC269G4R, 499234_ALDRICH, CTK1G9348, MolPort-003-935-347, KST-1B6079, ACT09887, AB1018, ANW-33303

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HRVQMQWVGKYDCF-UHFFFAOYSA-N

• 2-BENZOFURANCARBOXYLIC ACID 5-AMINO-,ETHYL ESTER
IUPAC Name: ethyl 5-amino-1-benzofuran-2-carboxylate | CAS Registry Number: 174775-48-5
Synonyms: Ethyl 5-Amino-1-benzofuran-2-carboxylate, Ethyl 5-aminobenzofuran-2-carboxylate, SBB053980, 5-Amino-2-(ethoxycarbonyl)-1-benzofuran, Ethyl 5-aminobenzo[b]furan-2-carboxylate, ethyl 5-aminobenzo[d]furan-2-carboxylate, PubChem23808, SureCN2255398, ethylaminobenzofurancarboxylate, KSC494O5F, CTK3J4752, MolPort-001-770-435, ANW-45651, WT2071, ZINC12336529, AKOS005072009, AG-B-21781, AM84613, LS40931, MCULE-2406800244

Molecular Formula: C11H11NO3Molecular Weight: 205.209940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YFFLLDHEEWSHQG-UHFFFAOYSA-N


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