Vitas-M small molecule compound
ethyl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-fluorophenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK576345
SMILES CCOC(=O)C1C(=NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)Br)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 C23H19BrFN3O4S MW 532.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrFN3O4S/c1-2-32-23(31)20-19(15-5-3-4-6-17(15)25)16(11-26)22(28-21(20)30)33-12-18(29)27-14-9-7-13(24)8-10-14/h3-10,19-20H,2,12H2,1H3,(H,27,29)(H,28,30)InChIKey
PCQGTJLVARGNTR-UHFFFAOYSA-NSynonyms
693231-60-6CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3F
ethyl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano4(2fluorophenyl)2hydroxy34dihydropyridine3carboxylate
ETHYL6(2(4BROMOANILINO)2OXOETHYL)SULFANYL5CYANO4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC23H19BrFN3O4Sc123223(31)2019(15534617(15)25)16(1126)22(2821(20)30)331218(29)27149713(24)81014h3101920H212H21H3(H2729)(H2830)
MFCD07203197
ZINC000001142494
ZINC000001142497
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