Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK545524
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1cccc(c1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H30ClN3O5S MW 616.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O5S/c1-4-15-41-33(39)30-21(2)36-32(43-20-29(38)37-25-12-8-11-24(34)17-25)26(18-35)31(30)23-13-14-27(28(16-23)40-3)42-19-22-9-6-5-7-10-22/h4-14,16-17,31,36H,1,15,19-20H2,2-3H3,(H,37,38)InChIKey
JFHBFILFDVXYTL-UHFFFAOYSA-NSynonyms
allyl4(4(benzyloxy)3methoxyphenyl)6((2((3chlorophenyl)amino)2oxoethyl)thio)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C
InChI=1SC33H30ClN3O5Sc14154133(39)3021(2)3632(432029(38)37251281124(34)1725)26(1835)31(30)23131427(28(1623)403)42192296571022h41416173136H1151920H223H3(H3738)
MFCD03663591
prop2en1yl4(4(benzyloxy)3methoxyphenyl)6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(3CHLOROANILINO)2OXOETHYL)SULFANYL5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097999784
ZINC000097999785
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