Vitas-M small molecule compound

benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK839677
SMILES N#CC1=C(SCC(=O)c2ccccc2)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 C29H23ClN2O3S MW 515.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O3S/c1-19-26(29(34)35-17-20-8-4-2-5-9-20)27(22-12-14-23(30)15-13-22)24(16-31)28(32-19)36-18-25(33)21-10-6-3-7-11-21/h2-15,27,32H,17-18H2,1H3
InChIKey
SAZSSKWASTYUMV-UHFFFAOYSA-N
Synonyms
384358-14-9
384358149
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2phenylethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2phenylethyl)thio)14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6PHENACYLSULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H23ClN2O3Sc11926(29(34)3517208425920)27(22121423(30)151322)24(1631)28(3219)361825(33)21106371121h2152732H1718H21H3
MFCD03001018
ZINC000020029147
ZINC000020029148

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Available files

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