Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538165
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)F)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 C29H22ClFN2O3S MW 533.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClFN2O3S/c1-18-26(29(35)36-16-19-5-3-2-4-6-19)27(21-7-11-22(30)12-8-21)24(15-32)28(33-18)37-17-25(34)20-9-13-23(31)14-10-20/h2-14,27,33H,16-17H2,1H3InChIKey
GPRCRKQUEOKZKW-UHFFFAOYSA-NSynonyms
370843-10-0370843100
benzyl4(4chlorophenyl)5cyano6((2(4fluorophenyl)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6((2(4fluorophenyl)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO6(2(4FLUOROPHENYL)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H22ClFN2O3Sc11826(29(35)3616195324619)27(2171122(30)12821)24(1532)28(3318)371725(34)2091323(31)141020h2142733H1617H21H3
MFCD02999083
ZINC000097951243
ZINC000097951244
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