Vitas-M small molecule compound
ethyl 5-cyano-4-(3-methylthiophen-2-yl)-2-phenyl-6-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827312
SMILES C=CCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1sccc1C
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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 C23H22N2O2S2 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O2S2/c1-4-12-29-22-17(14-24)18(21-15(3)11-13-28-21)19(23(26)27-5-2)20(25-22)16-9-7-6-8-10-16/h4,6-11,13,18,25H,1,5,12H2,2-3H3InChIKey
GEEIYDUDIHCHBW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=C(C=CS2)C)C#N)SCC=C)C3=CC=CC=C3
ethyl5cyano4(3methylthiophen2yl)2phenyl6(prop2en1ylsulfanyl)14dihydropyridine3carboxylate
ethyl5cyano4(3methylthiophen2yl)2phenyl6prop2enylsulfanyl14dihydropyridine3carboxylate
InChI=1SC23H22N2O2S2c1412292217(1424)18(2115(3)11132821)19(23(26)2752)20(2522)1697681016h4611131825H1512H223H3
MFCD10087600
ZINC000020348277
ZINC000020348278
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