Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538201
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C
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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 C29H22Cl3N3O3S MW 598.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl3N3O3S/c1-17-26(29(37)38-15-18-5-3-2-4-6-18)27(19-7-9-20(30)10-8-19)22(14-33)28(34-17)39-16-25(36)35-21-11-12-23(31)24(32)13-21/h2-13,27,34H,15-16H2,1H3,(H,35,36)InChIKey
UOXZOKCTFGTKQT-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2((34dichlorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6((2((34dichlorophenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO6(2(34DICHLOROANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H22Cl3N3O3Sc11726(29(37)3815185324618)27(197920(30)10819)22(1433)28(3417)391625(36)3521111223(31)24(32)1321h2132734H1516H21H3(H3536)
MFCD02999707
ZINC000001868007
ZINC000097999394
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