Vitas-M small molecule compound
ethyl 5-cyano-4-(furan-2-yl)-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886213
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F)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 C28H22F3N3O4S MW 553.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F3N3O4S/c1-2-37-27(36)24-23(21-12-7-13-38-21)20(15-32)26(34-25(24)17-8-4-3-5-9-17)39-16-22(35)33-19-11-6-10-18(14-19)28(29,30)31/h3-14,23,34H,2,16H2,1H3,(H,33,35)InChIKey
UBKQDWDNXRPGBY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4
ethyl5cyano4(furan2yl)6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl5cyano4(furan2yl)6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)thio)2phenyl14dihydropyridine3carboxylate
ETHYL5CYANO4(FURAN2YL)6(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
ETHYL5CYANO4FURAN2YL6((2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC28H22F3N3O4Sc123727(36)2423(21127133821)20(1532)26(3425(24)178435917)391622(35)33191161018(1419)28(2930)31h3142334H216H21H3(H3335)
MFCD03670228
ZINC000001255530
ZINC000001255531
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