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Profile: Beijing Smart Chemicals Co., Ltd. offers sulfide & disulfide compounds, pharmaceuticals, intermediates and uridines. We also provide 4-phenyl-2-pyrrolidinones, 5-(N-boc-amino)pentanophenones. Sulfide and disulfide compounds include 4,4'-dihydroxydiphenyl sulfide, diphenyl sulfide, diphenyl sulfoxide, 2,2'-thiobis(6-tert-butyl-p-cresol) and 4,4'-thiobis(6-tert-butyl-m-cresol). Uridines include 2`,3`-dideoxy-3`-triphenylmethylamino-4-benzo amidocytidine, 5`-t-butyldimethylsiloxy-2`-deoxyuridine and 5`-t-butyldimethylsiloxy-2`-deoxyuridine-3`,6-dehydrate.

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• Biguanide hydrochloride
IUPAC Name: (N'-carbamimidoylcarbamimidoyl)azanium chloride | CAS Registry Number: 4761-93-7
Synonyms: Guanylguanidine hydrochloride, BIGUANIDE, MONOHYDROCHLORIDE, CID9570184, Imidodicarbonimidic diamide monohydrochloride, LS-43941

Molecular Formula: C2H8ClN5Molecular Weight: 137.571420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: FKPUYTAEIPNGRM-UHFFFAOYSA-N

• Biguanide nitrate
IUPAC Name: 1-(diaminomethylidene)guanidine;nitric acid | CAS Registry Number: 22817-07-8
Synonyms: Biguanide Nitrate, CTK1A1559, ACT06246, AG-E-65739

Molecular Formula: C2H8N6O3Molecular Weight: 164.123320 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 4

InChIKey: AVWOEAVWVDLXMA-UHFFFAOYSA-N

• Carboplatin
IUPAC Name: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+) | CAS Registry Number: 41575-94-4
Synonyms: carboplatin, Paraplatin, Cbdca, Carboplatine [French], Carboplatinum [Latin], Carboplatino [Spanish], CCRIS 3404, JM 8, CHEBI:31355, HSDB 6957, Carboplatin [USAN:BAN:INN:JAN], EINECS 255-446-0, NSC 201345, NSC 241240, NSC-241240, EU-0100230, cis-Diammine(1,1-cyclobutanedicarboxylato)platinum, cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II), cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), 1,1-Cyclobutanedicarboxylate diammine platinum(II)

Molecular Formula: C6H14N2O4Pt+2Molecular Weight: 373.264360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: OLESAACUTLOWQZ-UHFFFAOYSA-N

• Cis-Octahydroisoindole
IUPAC Name: (3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole | CAS Registry Number: 1470-99-1
Synonyms: cis-Octahydroisoindole, cis-hexahydroisoindoline, cis-Octahydro-1H-isoindole, SBB014742, (6S,1R)-8-azabicyclo[4.3.0]nonane, PubChem9989, SureCN1025624, KSC493A1N, Jsp002731, (3aS,7aR)-Octahydro-isoindole, CTK3J3016, MolPort-005-306-457, ACN-S002084, ANW-54258, AKOS006287565, AG-D-91902, MCULE-3346513468, RP19654, (3aR,7aS)-rel-Octahydro-1H-isoindole, AK-33333

Molecular Formula: C8H15NMolecular Weight: 125.211400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ODSNARDHJFFSRH-OCAPTIKFSA-N

• Cocarboxylase Tetrahydrate
IUPAC Name: [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate;tetrahydrate | CAS Registry Number: 68684-55-9
Synonyms: Cocarboxylasetetrahydrate, AKOS015896586, I06-2394

Molecular Formula: C12H26N4O11P2SMolecular Weight: 496.367564 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 15

InChIKey: KLOLNRGPRQYTIW-UHFFFAOYSA-N

• D-Glutamine
IUPAC Name: (2R)-2,5-diamino-5-oxopentanoic acid | CAS Registry Number: 5959-95-5
Synonyms: D-glutamine, glutamine, glum, glumin, proglumide, L-glutamine, D-Glutamin, D-2-Aminoglutaramic acid, glutamic acid 5-amide, 2-aminoglutaramic acid, D-Glutaminsaeure-5-amid, D-Glutamic acid 5-amide, Lopac-G-3126, G9003_SIGMA, 49410_FLUKA, CHEBI:17061, 1b74, (R)-2,5-diamino-5-oxopentanoic acid, (2R)-2-amino-4-carbamoylbutanoic acid, (2R)-2,5-diamino-5-oxopentanoic acid

Molecular Formula: C5H10N2O3Molecular Weight: 146.144500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZDXPYRJPNDTMRX-GSVOUGTGSA-N

• Diethyl Cyanomethyl Phosphonate
IUPAC Name: 2-diethoxyphosphorylacetonitrile | CAS Registry Number: 2537-48-6
Synonyms: Diethyl cyanomethylphosphonate, Diethylphosphonoacetonitrile, (Diethylphosphono)acetonitrile, Diethyl (cyanomethyl)phosphonate, D91705_ALDRICH, Diethyl cyanomethanephosphonate, 2-(Diethylphosphonyl)acetonitrile, (Cyanomethyl)diethoxyphosphine oxide, DIETHYL CYANOMETHYL PHOSPHATE, EINECS 219-806-0, NSC407826, ZINC01600102, Cyanomethylphosphonic acid diethyl ester, Cyanomethyl phosphonic acid diethyl ester, Cyanomethanephosphonic acid, diethyl ester, SB 01599, TL8002058, Phosphonic acid, (cyanomethyl)-, diethyl ester, InChI=1/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H

Molecular Formula: C6H12NO3PMolecular Weight: 177.138141 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KWMBADTWRIGGGG-UHFFFAOYSA-N

• Dimethyl 2-(2-methoxyphenoxy)malonate
IUPAC Name: dimethyl 2-(2-methoxyphenoxy)propanedioate | CAS Registry Number: 150726-89-9
Synonyms: DIMETHYL 2-(2-METHOXYPHENOXY)MALONATE, AG-D-97437, (2-Methoxyphenoxy)-propanedioic acid dimethyl ester, AGN-PC-00KAFN, ACMC-20a15y, SureCN628822, CTK3J6665, MolPort-003-846-899, ACT08727, ANW-52436, ZINC22058103, AKOS015851940, RL01924, AK-39757, BR-39757, KB-251578, FT-0659625, ST51055359, W3293, 1,3-dimethyl 2-(2-methoxyphenoxy)propanedioate

Molecular Formula: C12H14O6Molecular Weight: 254.235960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SBUXKADXTZOBJV-UHFFFAOYSA-N

• Dimethyl 3,3'-Dithiobispropionate
IUPAC Name: methyl 3-(3-methoxy-3-oxopropyl)disulfanylpropanoate | CAS Registry Number: 15441-06-2
Synonyms: Dimethyl dithiodipropionate, nchem.481-compS34, Dimethyl 3,3'-dithiodipropionate, NSC638709, AIDS136680, Dimethyl 3,3'-dithiobispropionate, AIDS-136680, CID84913, EINECS 239-452-0, Dimethyl 3,3'-disulfanediyldipropanoate, Propanoic acid, 3,3'-dithiobis-, dimethyl ester, I09-0058

Molecular Formula: C8H14O4S2Molecular Weight: 238.324360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OSZKBWPMEPEYFU-UHFFFAOYSA-N

• Dimethyl Aminopropionitrile
IUPAC Name: 3-(dimethylamino)propanenitrile | CAS Registry Number: 1738-25-6
Synonyms: Dmapn, Dimethylaminopropionitrile, 3-(Dimethylamino)propionitrile, 3-(Dimethylamino)propanenitrile, Propanenitrile, 3-(dimethylamino)-, beta-Dimethylaminopropionitrile, Propionitrile, 3-(dimethylamino)-, 3-Dimethylaminopropiononitrile, 3-(N,N-Dimethylamino)propionitrile, HSDB 5029, NSC 232, N,N-(Dimethylamino)-3-propionitrile, 234486_ALDRICH, NSC232, WLN: NC2N1&1, beta-(N-Dimethylamino)propionitrile, 3-Dimethylaminopropannitril [Czech], EINECS 217-090-4, .beta.-(Dimethylamino)propionitrile, 3-(DIMETHYLAMINO)-PROPANENITRILE

Molecular Formula: C5H10N2Molecular Weight: 98.146300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MTPJEFOSTIKRSS-UHFFFAOYSA-N

• Diphenyl sulfoxide
IUPAC Name: phenylsulfinylbenzene | CAS Registry Number: 945-51-7
Synonyms: Phenyl sulfoxide, Diphenyl sulphoxide, Sulfoxide, diphenyl, Phenylsulfinylbenzene, Diphenylsulfoxide, Phenyl sulphoxide, 1,1'-sulfinyldibenzene, benzenesulfinyl-benzene, 2Ph-SO, BENZENE, 1,1'-SULFINYLBIS-, Phenyl sulfoxide (8CI), WLN: WSR&R, P35405_ALDRICH, NSC6779, 36722_RIEDEL, NSC 6779, EINECS 213-415-9, NSC630195, AIDS005735, NSC 630195

Molecular Formula: C12H10OSMolecular Weight: 202.272200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JJHHIJFTHRNPIK-UHFFFAOYSA-N

• Diphenyl Sulphide
IUPAC Name: phenylsulfanylbenzene | CAS Registry Number: 139-66-2
Synonyms: Diphenyl sulfide, Phenyl sulfide, Diphenylmercaptan, Phenylthiobenzene, Diphenyl sulphide, Diphenyl thioether, Diphenylthiamethane, Diphenylsulphide, Diphenyl monosulfide, Sulfide, diphenyl, Benzene, 1,1'-thiobis-, 1,1'-Thiobis(benzene), phenylsulfanyl-benzene, PHENYLSULFIDE, 1,1'-thiodibenzene, (Phenylsulfanyl)benzene, SULFIDE,DIPHENYL, WLN: RSR, 1,1'-sulfanediyldibenzene, P35316_ALDRICH

Molecular Formula: C12H10SMolecular Weight: 186.272800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LTYMSROWYAPPGB-UHFFFAOYSA-N

• Entecavir Hydrate
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one hydrate | CAS Registry Number: 209216-23-9
Synonyms: Entecavir, Baraclude, Entecavir [USAN:INN], CID170342, SQ 34676, BMS 200475-01, 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-, monohydrate

Molecular Formula: C12H17N5O4Molecular Weight: 295.294480 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: YXPVEXCTPGULBZ-JBDQBEHPSA-N

• Ethyl (R)-(-)-2-hydroxy-4-phenylbutyrate
IUPAC Name: ethyl (2R)-2-hydroxy-4-phenylbutanoate | CAS Registry Number: 90315-82-5
Synonyms: 460826_ALDRICH, 56114_FLUKA, ZINC00395671, (R)-Ethyl-2-Hydroxy-4-Phenylbutyrate, ST5405760, TL8005810, Ethyl (R)-(−)-2-hydroxy-4-phenylbutyrate

Molecular Formula: C12H16O3Molecular Weight: 208.253640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZJYKSSGYDPNKQS-LLVKDONJSA-N

• Ethyl (R)-2-Hydroxy-4-Phenylbutyrate (CAS: 90315-82-4)
• Ethyl 3-Ethoxy Propionate
IUPAC Name: ethyl 3-ethoxypropanoate | CAS Registry Number: 763-69-9
Synonyms: EEP Solvent, Ethyl 3-ethoxypropanoate, Ethyl 3-ethoxypropionate, Ethyl-3-ethoxypropionate, Ethyl beta-ethoxypropionate, Ethoxypropionic acid, ethyl ester, Propanoic acid, 3-ethoxy-, ethyl ester, 3-Ethoxypropionic acid ethyl ester, Ethyl .beta.-ethoxypropionate, WLN: 2OV2O2, 537586_ALDRICH, NSC 8870, EINECS 212-112-9, NSC8870, PROPIONIC ACID, 3-ETHOXY-, ETHYL ESTER, BRN 1751976, ZINC01648286, AI3-03254, 3-Ethoxypropionic Acid Ethyl Ester(beta-), Ethylester kyseliny 3-ethoxypropionove [Czech]

Molecular Formula: C7H14O3Molecular Weight: 146.184260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BHXIWUJLHYHGSJ-UHFFFAOYSA-N

• Ethyl-2-Furoate
IUPAC Name: ethyl furan-2-carboxylate | CAS Registry Number: 614-99-3
Synonyms: Ethyl furoate, Ethyl pyromucate, 2-Carboethoxyfuran, Ethyl-2-furoate, ETHYL 2-FUROATE, 2-Furoic acid, ethyl ester, Ethyl 2-furancarboxylate, 2-(Ethoxycarbonyl)furan, Ethyl 2-furylcarboxylate, Ethyl furan-2-carboxylate, Furoic acid, ethyl ester, 2-Furancarboxylic acid, ethyl ester, WLN: T5OJ BVO2, E28501_ALDRICH, Furan-2-carboxylic acid ethyl ester, Furancarboxylic acid, ethyl ester, W501301_ALDRICH, NSC 2304, 48010_FLUKA, EINECS 210-404-0

Molecular Formula: C7H8O3Molecular Weight: 140.136620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N

• Fenticonazole
IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole | CAS Registry Number: 72479-26-6
Synonyms: FENTICONAZOLE, Fenticonazolum, Fenticonazol, Lomexin, Fenticonazole (INN), Fenticonazole [INN:BAN], Fenticonazol [INN-Spanish], Fenticonazolum [INN-Latin], UNII-QG05NRB077, C24H20Cl2N2OS, AIDS017393, Rec 15-1476, 73151-29-8 (mono-nitate), AIDS-017393, CID51755, LS-176975, D02582, 1-(2,4-dichloro-beta-((p-(phenylthio)benzyl)oxy)phenethyl)imidazole, 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((4-(phenylthio)phenyl)methoxy)ethyl)-, 1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1H-imidazole

Molecular Formula: C24H20Cl2N2OSMolecular Weight: 455.399400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZCJYUTQZBAIHBS-UHFFFAOYSA-N

• Iminodiacetic Acid Diethyl Ester
IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)amino]acetate | CAS Registry Number: 6290-05-7
Synonyms: Diethyl iminodiacetate, Iminodiacetic acid diethyl ester, 444049_ALDRICH, N,N-Bis(ethoxycarbonylmethyl)amine, NSC6950, Acetic acid, iminodi-, diethyl ester, NSC 6950, EINECS 228-533-6, Ethyl N-(2-ethoxy-2-oxoethyl)glycinate, Glycine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester

Molecular Formula: C8H15NO4Molecular Weight: 189.209000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LJDNMOCAQVXVKY-UHFFFAOYSA-N

• Lapatinib
IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine | CAS Registry Number: 231277-92-2
Synonyms: Tykerb, Lapatinib [INN], 1xkk, Lapatinib Ditosylate, nchembio866-comp20, Lapatinib tosilate hydrate, GW572016, CHEBI:49603, GSK 572016, GW 572016, CID208908, DB01259, NCGC00167507-01, LS-187029, LS-187771, FMM, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine, N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine

Molecular Formula: C29H26ClFN4O4SMolecular Weight: 581.057543 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-N

• Meloxicam
IUPAC Name: (3E)-3-[hydroxy-[(5-methyl-1,3-thiazol-2-yl)amino]methylidene]-2-methyl-1,1-dioxobenzo[e]thiazin-4-one | CAS Registry Number: 71125-38-7
Synonyms: meloxicam, Mobic, Mobec, Movalis, miloxicam, Metacam, Mobicox, Parocin, Masflex, Movatec, Movicox, Tenaron, Uticox, Meloxicamum [Latin], Mobic (TN), UH-AC 62XX, Abbott brand of meloxicam, Squibb brand of meloxicam, Promeco brand of meloxicam, Meloxicam [USAN:BAN:INN]

Molecular Formula: C14H13N3O4S2Molecular Weight: 351.400720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: DWMREKMVXIFPFM-ACCUITESSA-N

• Methyl 2-furoate
IUPAC Name: methyl furan-2-carboxylate | CAS Registry Number: 611-13-2
Synonyms: Methyl pyromucate, Methyl 2-furancarboxylate, Pyromucic acid methyl ester, METHYL FUROATE, 2-(Methoxycarbonyl)furan, Methyl 2-furylcarboxylate, Furoic acid, methyl ester, 2-Furancarboxylic acid, methyl ester, Methyl furan-2-carboxylate, WLN: T5OJ BVO1, 2-Furoic acid methyl ester, FEMA No. 2703, 2-FUROIC ACID, METHYL ESTER, CCRIS 2158, W270318_ALDRICH, 129852_ALDRICH, 48050_FLUKA, EINECS 210-254-6, NSC 35551, AIDS018154

Molecular Formula: C6H6O3Molecular Weight: 126.110040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HDJLSECJEQSPKW-UHFFFAOYSA-N

• Methyl 3-Methoxy-Propionate
IUPAC Name: methyl 3-methoxypropanoate | CAS Registry Number: 3852-09-3
Synonyms: Methyl 3-methoxypropanoate, Methyl 3-methoxypropionate, Ambap674, Methyl methoxypropionate, Methyl beta-methoxypropionate, Methyl .beta.-methoxypropionate, 407429_ALDRICH, 65302_FLUKA, EINECS 223-358-1, Propanoic acid, 3-methoxy-, methyl ester, 3-Methoxypropionic acid methyl ester, NSC 65578, Propanoic acid, 3-methoxy-, methyl ether, NSC65578, beta-Methoxypropionic acid, methyl ester, BRN 1744829, ZINC01692465, AI3-15733, PROPIONIC ACID, 3-METHOXY-, METHYL ESTER, LS-124735

Molecular Formula: C5H10O3Molecular Weight: 118.131100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BDJSOPWXYLFTNW-UHFFFAOYSA-N

• Myristoyl Chloride
IUPAC Name: tetradecanoyl chloride | CAS Registry Number: 112-64-1
Synonyms: Myristoyl chloride, Tetradecanoyl chloride, M8255_SIGMA, 185205_ALDRICH, 70100_FLUKA, NSC9417, NSC 9417, EINECS 203-994-6

Molecular Formula: C14H27ClOMolecular Weight: 246.816580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LPWCRLGKYWVLHQ-UHFFFAOYSA-N

• N-(4-Aminobenzoyl)-beta-alanine
IUPAC Name: 3-[(4-aminobenzoyl)amino]propanoate | CAS Registry Number: 7377-08-4
Synonyms: ZINC00120074, CID6927053

Molecular Formula: C10H11N2O3-Molecular Weight: 207.205940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VHAXWROFYVPXMZ-UHFFFAOYSA-M

• N-Acryloylmorpholine
IUPAC Name: 1-morpholin-4-ylprop-2-en-1-one | CAS Registry Number: 5117-12-4
Synonyms: N-Acrylylmorpholine, 4-Acryloylmorpholine, Pacm-I, Poly(acryloylmorpholine), Acryloyl-morpholine polymer, Poly(N-acryloyl morpholine), 448273_ALDRICH, 4-(1-Oxo-2-propenyl)morpholine, Morpholine, 4-(1-oxo-2-propenyl)-, NSC162221, ZINC01623625, Morpholine, 4-(1-oxo-2-propenyl)-, homopolymer, InChI=1/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H, 136894-88-7, 28902-82-1

Molecular Formula: C7H11NO2Molecular Weight: 141.167740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XLPJNCYCZORXHG-UHFFFAOYSA-N

• Nonylic Acid Vanillylamide
IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide | CAS Registry Number: 2444-46-4
Synonyms: Pseudocapsaicin, N-Vanillylnonanamide, N-Vanillylnonamide, N-Vanillylpelargonamide, Nonylvanylamide, Capsaicin, NONIVAMIDE, Vanillyl-N-nonylamide, Nonivamide [INN], Vanillyl n-nonoylamide, Pelargonyl vanillylamide, Capsaicin synthetic, N-Nonanoyl vanillylamide, Pelargonic acid vanillylamide, Nonanoic acid vanillylamide, Nonoyl vanillylamide, Nonanamide, N-vanillyl-, Vanillyl pelargonic amide, N-vanillyl nonanamide, Nonanoyl vanillylamide

Molecular Formula: C17H27NO3Molecular Weight: 293.401180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RGOVYLWUIBMPGK-UHFFFAOYSA-N

• Ozagrel
IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid | CAS Registry Number: 82571-53-7
Synonyms: ozagrel, Ozagrelum [Latin], Ozagrel [INN], Ozagrel (E), Prestwick2_000979, Prestwick3_000979, BSPBio_001017, BPBio1_001119, OKY 046, OKY-046, C13H12N2O2, 4-(1-imidazoylmethyl)cinnamic acid, (E)-p-(Imidazol-1-ylmethyl)cinnamic acid, CID5282440, NCGC00025195-02, LS-177692, TL8005457, AB00514722, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-2-propenoic acid, 2-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, (E)-

Molecular Formula: C13H12N2O2Molecular Weight: 228.246580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SHZKQBHERIJWAO-AATRIKPKSA-N

• Pantoprazole Sodium
IUPAC Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide | CAS Registry Number: 138786-67-1
Synonyms: Pantoloc, Protonix, pantoprazole, Anagastra, Controloc, Pantecta, Pantopan, Pantozol, Peptazol, Ulcotenal, Inipomp, Pantorc, Protium, Zurcal, Apton, Rifun, Pantozol Control, Protonix IV, Protonix I.V, Ambap2569

Molecular Formula: C16H14F2N3NaO4SMolecular Weight: 405.351636 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: YNWDKZIIWCEDEE-UHFFFAOYSA-N

• Phenyl Salicylate (Salol)
IUPAC Name: phenyl 2-hydroxybenzoate | CAS Registry Number: 118-55-8
Synonyms: Phenyl salicylate, Salol, Salphenyl, Musol, Phenol salicylate, 2-Phenoxycarbonylphenol, Salicylic acid, phenyl ester, Phenyl-2-hydroxybenzoate, PHENYL 2-HYDROXYBENZOATE, WLN: QR BVOR, Benzoic acid, 2-hydroxy-, phenyl ester, CCRIS 4859, Oprea1_020651, Oprea1_771794, W396001_ALDRICH, 149187_ALDRICH, ARONIS002230, 2-Hydroxybenzoic acid, phenyl ester, EINECS 204-259-2, CID8361

Molecular Formula: C13H10O3Molecular Weight: 214.216700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZQBAKBUEJOMQEX-UHFFFAOYSA-N

• Phosphonitrilic chloride trimer
IUPAC Name: 1,1,3,3,5,5-hexachloro-2,4,6-triaza-1$l^{5},3$l^{5},5$l^{5}-triphosphacyclohexa-1,3,5-triene | CAS Registry Number: 940-71-6
Synonyms: Hexachlorophosphazene, Hexachlorocyclotriphosphazene, Triphosphonitrile chloride, Hexachlorotriphosphonitrile, Triphosphonitrilic chloride, Cyclophosphazene dichloride trimer, Hexachlorocyclophosphazatriene, Dichlorocyclophosphazine trimer, Hexachlorocyclotriphosphazine, Hexachlorocyclotriphosphazatriene, Phosphononitrilic chloride trimer, NSC2667, 230286_ALDRICH, 481947_ALDRICH, Cyclophosphonitrilic chloride trimer, NSC209799, Phosphonitrilic chloride cyclic trimer, AIDS011557, Phosphonitrile chloride, cyclic trimer, AIDS-011557

Molecular Formula: Cl6N3P3Molecular Weight: 347.659383 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UBIJTWDKTYCPMQ-UHFFFAOYSA-N

• Raltitrexed
IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid | CAS Registry Number: 112887-68-0
Synonyms: Tomudex, 2kce, 2tsr, Tomudex (TN), ICI D1694, ZD1694, ICI-D1694, MLS001424225, Raltitrexed (JAN/USAN/INN), STOCK6S-47020, C21H22N4O6S, 1i00, AIDS106596, ICI-D-1694, AIDS-106596, ZD 1694, ZD-1694, ZN-D1694, CID104758, NSC639186

Molecular Formula: C21H22N4O6SMolecular Weight: 458.487580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N

• Sodium tert-pentoxide
IUPAC Name: sodium 2,2-dimethylpropan-1-olate | CAS Registry Number: 14593-46-5
Synonyms: Sodium 2-methylbutan-2-olate, CID84543, EINECS 238-639-4, 2-Butanol, 2-methyl-, sodium salt, 120380-11-2

Molecular Formula: C5H11NaOMolecular Weight: 110.130010 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YQMLGVNRTAQUFQ-UHFFFAOYSA-N

• Teniposide
IUPAC Name: (5R,5aR)-9-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 29767-20-2
Synonyms: teniposide, CID5284623, (8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(2-thienylmethylidene)-beta-D-glucopyranoside

Molecular Formula: C32H32O13SMolecular Weight: 656.653680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: NRUKOCRGYNPUPR-NFIYYIGVSA-N

• Tetraethyl orthocarbonate
IUPAC Name: triethoxymethoxyethane | CAS Registry Number: 78-09-1
Synonyms: Tetraethoxymethane, triethoxy-methoxy-ethane, 163627_ALDRICH, 75585_FLUKA, NSC28574, EINECS 201-082-2, Orthocarbonic acid, tetraethyl ester, ZINC00388402, Ethane, 1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-, Ethane, 1,1',1'',1'''-(methanetetrayltetrakis(oxy))tetrakis-

Molecular Formula: C9H20O4Molecular Weight: 192.252700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CWLNAJYDRSIKJS-UHFFFAOYSA-N

• Tetrakis(Triphenylphosphine)Palladium
IUPAC Name: palladium; triphenylphosphane | CAS Registry Number: 14221-01-3
Synonyms: Tetra(triphenylphosphine)palladium, 216666_ALDRICH, 511579_ALDRICH, 10987_FLUKA, EINECS 238-086-9, Tetrakis(triphenylphosphine)palladium, Palladium-tetrakis(triphenylphosphine), CID11979704, Tetrakis(triphenylphosphine)palladium(0), PALLADIUM TETRAKIS-(TRIPHENYLPHOSPHINE), Palladium, tetrakis(triphenylphosphine)-, (T-4)-, Tetrakis(triphenylphosphine)palladium polymer-bound, Palladium-tetrakis(triphenylphosphine) polymer-bound, Palladium-tetrakis(triphenylphosphine), polymer-bound, Tetrakis(triphenylphosphine)palladium, polymer-bound, 12582-12-6, 136296-64-5

Molecular Formula: C72H60P4PdMolecular Weight: 1155.561844 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NFHFRUOZVGFOOS-UHFFFAOYSA-N

• Thianthrene
IUPAC Name: thianthrene | CAS Registry Number: 92-85-3
Synonyms: Thianthren, THIANTHRENE, Thiaanthrene, 9,10-Dithiaanthracene, DIPHENYLENE DISULFIDE, NSC439, 122440_ALDRICH, NSC 439, AIDS018279, AIDS-018279, EINECS 202-197-0, ZINC00388139, AI3-00638, TL8006843, CU-00000000457-1, T5885949, InChI=1/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8

Molecular Formula: C12H8S2Molecular Weight: 216.321920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GVIJJXMXTUZIOD-UHFFFAOYSA-N

• Tiopronin
IUPAC Name: 2-(2-sulfanylpropanoylamino)acetic acid | CAS Registry Number: 1953-02-2
Synonyms: tiopronin, Thiola, Mucolysin, Acadione, Epatiol, Thiosol, Capen, Thiopronin, Thiopronine, Captimer, Sutilan, Tioglis, Vincol, Meprin (detoxicant), Mercaptopropionylglycine, Thiola (TN), Tiopronine [INN-French], Tioproninum [INN-Latin], N-(2-Mercaptopropionyl)glycine, Tiopronino [INN-Spanish]

Molecular Formula: C5H9NO3SMolecular Weight: 163.194860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YTGJWQPHMWSCST-UHFFFAOYSA-N

• Trimethyl Orthobutyrate
IUPAC Name: 1,1,1-trimethoxybutane | CAS Registry Number: 43083-12-1
Synonyms: Trimethyl orthobutyrate, 1,1,1-Trimethoxybutane, 254509_ALDRICH, 75571_FLUKA, ortho-n-Butyric acid trimethyl ester, EINECS 256-079-9, CID123512, ZINC00391830, TL8003038

Molecular Formula: C7H16O3Molecular Weight: 148.200140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JAFMOTJMRSZOJE-UHFFFAOYSA-N

• Trimethyl orthovalerate
IUPAC Name: 1,1,1-trimethoxypentane | CAS Registry Number: 13820-09-2
Synonyms: 1,1,1-Trimethoxypentane, Ambap4651, Pentane, 1,1,1-trimethoxy-, Orthovaleric acid, trimethyl ester, 254517_ALDRICH, 75607_FLUKA, EINECS 237-496-5, ZINC02567998, TL8006138

Molecular Formula: C8H18O3Molecular Weight: 162.226720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XUXVVQKJULMMKX-UHFFFAOYSA-N

• 1-Ethyl-2,3-DioxoPiperazine
IUPAC Name: 1-ethylpiperazine-2,3-dione | CAS Registry Number: 59702-31-7
Synonyms: 1-Ethyl-2,3-piperazinedione, 1-Ethylpiperazine-2,3-dione, 4-Ethyl-2,3-dioxopiperazine, 4-Ethyl-2,3-piperazinedione, CCRIS 8931, N-Ethylpiperizine-2,3-dione, 2,3-Piperazinedione, 1-ethyl-, 535044_ALDRICH, EINECS 261-866-5, ZINC03882230, T 1982C, BRN 0879076, CID108812, P 32, LS-111887, ST5306810, 5-24-05-00286 (Beilstein Handbook Reference)

Molecular Formula: C6H10N2O2Molecular Weight: 142.155800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZBEKOEYCWKIMGU-UHFFFAOYSA-N

• 2-Bromo Benzyl Amine HCl
IUPAC Name: (2-bromophenyl)methanamine chloride | CAS Registry Number: 5465-63-4
Synonyms: NSC29035

Molecular Formula: C7H8BrClN-Molecular Weight: 221.502120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MDEJOHXOXKDGOU-UHFFFAOYSA-M

• 4,4'-Dihydroxy diphenyl thioether
IUPAC Name: 4-(4-hydroxyphenyl)sulfanylphenol | CAS Registry Number: 2664-63-3
Synonyms: Thiobisphenol, 4,4'-Thiodiphenol, 4,4'-Thiobisphenol, Phenol, 4,4'-thiobis-, 4,4-Thiodiphenol, Bis(4-oxyphenyl)sulfide, 4,4'-Thio-diphenol, p,p'-Dihydroxydiphenyl sulfide, 4,4'-Dioxydiphenyl sulfide, Bis(p-hydroxhphenyl) sulfide, 4-Hydroxyphenyl sulfide, PHENOL, 4,4'-THIODI-, 4,4'-Dihydroxydiphenyl sulfide, 4,4'-Dioxydiphenylsulfide, Bis(4-hydroxyphenyl) sulfide, 4,4'-Dihydroxydiphenylsulfide, Sulfide, bis(4-hydroxyphenyl), 4,4'-sulfanediyldiphenol, 4,4-Dihydroxydiphenylsulfide, Oprea1_271899

Molecular Formula: C12H10O2SMolecular Weight: 218.271600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VWGKEVWFBOUAND-UHFFFAOYSA-N

• 4-Methoxy Propiophenone
IUPAC Name: 1-(4-methoxyphenyl)propan-1-one | CAS Registry Number: 121-97-1
Synonyms: p-Methoxypropiophenone, 4'-Methoxypropiophenone, Propiophenone, 4'-methoxy-, Ethyl 4-methoxyphenyl ketone, 1-Propanone, 1-(4-methoxyphenyl)-, ghl.PD_Mitscher_leg0.581, M24809_ALDRICH, 1-(4-Methoxyphenyl)-1-propanone, 1-(4-methoxyphenyl)propan-1-one, NSC11834, EINECS 204-512-7, Propiophenone, 4'-methoxy- (8CI), NSC 11834, ZINC00330146, AI3-04094, ST5406149, AB-131/40236160, InChI=1/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZJVAWPKTWVFKHG-UHFFFAOYSA-N

• 4-Phenyl acetophenone
IUPAC Name: 1-(4-phenylphenyl)ethanone | CAS Registry Number: 92-91-1
Synonyms: p-Acetylbiphenyl, p-Phenylacetophenone, 4-ACETYLBIPHENYL, 4'-Phenylacetophenone, 4-Phenylacetophenone, Acetophenone, 4'-phenyl-, 4-Acetyl-biphenyl, Biphenyl-4-acetophenone, 4-Biphenylyl methyl ketone, Ketone, 4-biphenylyl methyl, Methyl 4-biphenylyl ketone, 4-Biphenyl methyl ketone, MLS000584126, 1-(4-phenyl-phenyl)-ethanone, 122726_ALDRICH, NSC 1875, 1-(1,1'-Biphenyl)-4-ylethanone, EINECS 202-202-6, NSC1875, Ethanone, 1-[1,1'-biphenyl]-4-yl-

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QCZZSANNLWPGEA-UHFFFAOYSA-N

• 4-(4-Ethylphenyl)phenol
IUPAC Name: 4-(4-ethylphenyl)phenol | CAS Registry Number: 21345-28-8
Synonyms: 4'-Ethyl-biphenyl-4-ol, 4-(4-ethylphenyl)phenol, AG-E-56406, PubChem13938, 4'-ethylbiphenyl-4-ol, SureCN980894, AGN-PC-00281L, MolPort-002-499-644, ACT05061, ANW-48217, ZINC12649743, AKOS002679490, AC-6621, AG-L-63835, [1,1'-Biphenyl]-4-ol, 4'-ethyl-, AK-34084, BR-34084, KB-191336, A4604, FT-0630103

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MVHOIHXEJQPTQT-UHFFFAOYSA-N

• 3-Ethoxypropionitrile
IUPAC Name: 3-ethoxypropanenitrile | CAS Registry Number: 2141-62-0
Synonyms: 3-Ethoxypropanenitrile, Propanenitrile, 3-ethoxy-, 2-Ethoxypropionitrile, Propionitrile, 3-ethoxy-, 3-Ethoxypropiononitrile, beta-Ethoxypropionitrile, alpha-Ethoxypropionitrile, 3-ETHOXYPROPIONITRILE, Propionitrile, 2-ethoxy-, .beta.-Ethoxypropionitrile, 2-Ethoxypropannitril [Czech], Propanenitrile, 2-ethoxy-, beta-Aethoxypropionitril [German], NSC 7767, EINECS 218-393-4, NSC7767, Propionitrile, 3-ethoxy- (8CI), Propanenitrile, 2-ethoxy- (9CI), BRN 0741924, BRN 1720500

Molecular Formula: C5H9NOMolecular Weight: 99.131060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DCWQZPJHHVLHSV-UHFFFAOYSA-N

• 4'-Fluoro-2'-hydroxyacetophenone
IUPAC Name: 1-(4-fluoro-2-hydroxyphenyl)ethanone | CAS Registry Number: 1481-27-2
Synonyms: Ambap3682, 4-Fluoro-2-hydroxyacetophenone, 466964_ALDRICH, ZINC02512486, CID2737326, TL8001052, InChI=1/C8H7FO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HLTBTUXAMVOKIH-UHFFFAOYSA-N

• 4-Cyano-3,5-difluorophenol
IUPAC Name: 2,6-difluoro-4-hydroxybenzonitrile | CAS Registry Number: 123843-57-2
Synonyms: 2,6-Difluoro-4-hydroxybenzonitrile, 4-hydroxy-2,6-difluorobenzonitrile, 3,5-difluoro-4-cyanophenol, 2,6-Difluoro-4-hydroxy benzonitrile, Benzonitrile, 2,6-difluoro-4-hydroxy-, 2,6-difluoro-4-hydroxybenzenecarbonitrile, SBB063847, AG-D-51079, ZINC02243358, PubChem5196, SureCN81244, ACMC-1BZ2H, AC1MCU11, 3.5-Difluoro-4-cyanophenol, KSC495C8F, Jsp001591, CTK3J5182, MolPort-000-150-717, ACT12409, 2,6-difluoro-4-hydroxy-benzonitrile

Molecular Formula: C7H3F2NOMolecular Weight: 155.101626 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KEIYYIGMDPTAPL-UHFFFAOYSA-N

• 3-Hexylthiophene
IUPAC Name: 3-hexylthiophene | CAS Registry Number: 1693-86-3
Synonyms: 399051_ALDRICH, ZINC02512478, CID566849, ST5306942

Molecular Formula: C10H16SMolecular Weight: 168.299040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JEDHEMYZURJGRQ-UHFFFAOYSA-N


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