Vitas-M small molecule compound
ethyl 5-cyano-4-(2-fluorophenyl)-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827310
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1F)C#N)SCC(=O)OC)c1ccccc1
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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 C24H21FN2O4S MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN2O4S/c1-3-31-24(29)21-20(16-11-7-8-12-18(16)25)17(13-26)23(32-14-19(28)30-2)27-22(21)15-9-5-4-6-10-15/h4-12,20,27H,3,14H2,1-2H3InChIKey
IFEJCNIRTFTORV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2F)C#N)SCC(=O)OC)C3=CC=CC=C3
ethyl5cyano4(2fluorophenyl)6((2methoxy2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl5cyano4(2fluorophenyl)6(2methoxy2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC24H21FN2O4Sc133124(29)2120(1611781218(16)25)17(1326)23(321419(28)302)2722(21)1595461015h4122027H314H212H3
MFCD10087597
ZINC000020348267
ZINC000020348269
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