Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL416069
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C)S/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/C1=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 C27H20F3NO5S MW 527.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3NO5S/c1-3-35-26(34)22-23(32)21(37-25(22)31-24(33)16-9-7-15(2)8-10-16)14-19-11-12-20(36-19)17-5-4-6-18(13-17)27(28,29)30/h4-14H,3H2,1-2H3,(H,31,33)/b21-14-InChIKey
ZEPWEBJSFSKBKX-STZFKDTASA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C)SC(=Cc2ccc(o2)c2cccc(c2)C(F)(F)F)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C1=O)NC(=O)C4=CC=C(C=C4)C
ethyl(5Z)2(((4methylphenyl)carbonyl)amino)4oxo5((5(3(trifluoromethyl)phenyl)furan2yl)methylidene)45dihydrothiophene3carboxylate
ETHYL(5Z)2((4METHYLBENZOYL)AMINO)4OXO5((5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL2((4METHYLBENZOYL)AMINO)4OXO5((5(3(TRIFLUOROMETHYL)PHENYL)2FURYL)METHYLENE)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC27H20F3NO5Sc133526(34)2223(32)21(3725(22)3124(33)169715(2)81016)1419111220(3619)1754618(1317)27(2829)30h414H3H212H3(H3133)b2114
MFCD03269558
ZINC000008395876
ZINC08395876
ZINC8395876
Check stock
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Check stock on Vitas-MAvailable files
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