Vitas-M small molecule compound
ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826749
SMILES CCCCOC(=O)CSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)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 C27H27ClN2O4S MW 511.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O4S/c1-3-5-15-34-22(31)17-35-26-20(16-29)23(19-13-9-10-14-21(19)28)24(27(32)33-4-2)25(30-26)18-11-7-6-8-12-18/h6-14,23,30H,3-5,15,17H2,1-2H3InChIKey
XWXOKZZLNNKSON-UHFFFAOYSA-NSynonyms
CCCCOC(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3Cl)C#N
ethyl6((2butoxy2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
ethyl6(2butoxy2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
InChI=1SC27H27ClN2O4Sc135153422(31)17352620(1629)23(19139101421(19)28)24(27(32)3342)25(3026)18117681218h6142330H351517H212H3
MFCD05717341
ZINC000020136696
ZINC000020136700
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