Vitas-M small molecule compound
benzyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK759392
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=C(C1c1ccccc1Cl)C(=O)Nc1ccccc1)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 C29H24ClN3O3S MW 530.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O3S/c1-19-26(28(35)33-21-12-6-3-7-13-21)27(22-14-8-9-15-24(22)30)23(16-31)29(32-19)37-18-25(34)36-17-20-10-4-2-5-11-20/h2-15,27,32H,17-18H2,1H3,(H,33,35)InChIKey
JGQAIMBEPZULNX-UHFFFAOYSA-NSynonyms
benzyl((4(2chlorophenyl)3cyano6methyl5(phenylcarbamoyl)14dihydropyridin2yl)sulfanyl)acetate
BENZYL2((4(2CHLOROPHENYL)3CYANO6METHYL5(PHENYLCARBAMOYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
benzyl2((4(2chlorophenyl)3cyano6methyl5(phenylcarbamoyl)14dihydropyridin2yl)thio)acetate
BENZYL2((5(ANILINOCARBONYL)4(2CHLOROPHENYL)3CYANO6METHYL14DIHYDRO2PYRIDINYL)SULFANYL)ACETATE
CC1=C(C(C(=C(N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4
InChI=1SC29H24ClN3O3Sc11926(28(35)3321126371321)27(2214891524(22)30)23(1631)29(3219)371825(34)361720104251120h2152732H1718H21H3(H3335)
MFCD01461390
ZINC000008439275
ZINC000008439277
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