Vitas-M small molecule compound
benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-propoxyethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL001098
SMILES CCCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccccc1Cl
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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 C26H25ClN2O4S MW 497.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O4S/c1-3-13-32-22(30)16-34-25-20(14-28)24(19-11-7-8-12-21(19)27)23(17(2)29-25)26(31)33-15-18-9-5-4-6-10-18/h4-12,24,29H,3,13,15-16H2,1-2H3InChIKey
BMKFXRSSTIKXLF-UHFFFAOYSA-NSynonyms
799784-26-2799784262
benzyl4(2chlorophenyl)5cyano2methyl6((2oxo2propoxyethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(2chlorophenyl)5cyano2methyl6((2oxo2propoxyethyl)thio)14dihydropyridine3carboxylate
BENZYL4(2CHLOROPHENYL)5CYANO2METHYL6(2OXO2PROPOXYETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3Cl)C#N
InChI=1SC26H25ClN2O4Sc13133222(30)16342520(1428)24(1911781221(19)27)23(17(2)2925)26(31)33151895461018h4122429H3131516H212H3
MFCD03674889
ZINC000020171420
ZINC000020171422
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