Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826382
SMILES COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccc(cc1)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 C30H26ClN3O4S MW 560.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O4S/c1-19-27(30(36)38-17-20-7-4-3-5-8-20)28(21-11-13-22(31)14-12-21)25(16-32)29(33-19)39-18-26(35)34-23-9-6-10-24(15-23)37-2/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)InChIKey
HQVBFJZYGNAUKG-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2((3methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6((2((3methoxyphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO6(2(3METHOXYANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)OC)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC30H26ClN3O4Sc11927(30(36)3817207435820)28(21111322(31)141221)25(1632)29(3319)391826(35)3423961024(1523)372h3152833H1718H212H3(H3435)
MFCD03669401
ZINC000098000112
ZINC000098000113
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