Vitas-M small molecule compound
methyl 5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK559460
SMILES COC(=O)C1C(=NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)F)O
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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 C22H17F2N3O4S MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F2N3O4S/c1-31-22(30)19-18(14-4-2-3-5-16(14)24)15(10-25)21(27-20(19)29)32-11-17(28)26-13-8-6-12(23)7-9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)InChIKey
KECHZCQOLHDEOO-UHFFFAOYSA-NSynonyms
370843-97-3COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CC=C3F
InChI=1SC22H17F2N3O4Sc13122(30)1918(14423516(14)24)15(1025)21(2720(19)29)321117(28)26138612(23)7913h291819H11H21H3(H2628)(H2729)
methyl5cyano4(2fluorophenyl)6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2hydroxy34dihydropyridine3carboxylate
METHYL5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03799049
ZINC000002309487
ZINC000002309490
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