Vitas-M small molecule compound
benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886047
SMILES N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccccc1Cl)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)35-17-20-10-4-2-5-11-20)27(22-14-8-9-15-24(22)30)23(16-31)28(32-19)36-18-25(33)21-12-6-3-7-13-21/h2-15,27,32H,17-18H2,1H3InChIKey
WVTZPIMLDBGUFF-UHFFFAOYSA-NSynonyms
benzyl4(2chlorophenyl)5cyano2methyl6((2oxo2phenylethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(2chlorophenyl)5cyano2methyl6phenacylsulfanyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H23ClN2O3Sc11926(29(34)351720104251120)27(2214891524(22)30)23(1631)28(3219)361825(33)21126371321h2152732H1718H21H3
MFCD10086601
ZINC000020347857
ZINC000020347858
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