Vitas-M small molecule compound
methyl (5Z)-5-(4-fluorobenzylidene)-4-oxo-2-{[3-(trifluoromethyl)phenyl]amino}-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158505
SMILES COC(=O)C1=C(Nc2cccc(c2)C(F)(F)F)S/C(=C\c2ccc(cc2)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 C20H13F4NO3S MW 423.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F4NO3S/c1-28-19(27)16-17(26)15(9-11-5-7-13(21)8-6-11)29-18(16)25-14-4-2-3-12(10-14)20(22,23)24/h2-10,25H,1H3/b15-9-InChIKey
ABHSTKMEOZVDAJ-DHDCSXOGSA-NSynonyms
COC(=O)C1=C(Nc2cccc(c2)C(F)(F)F)SC(=Cc2ccc(cc2)F)C1=O
COC(=O)C1=C(SC(=CC2=CC=C(C=C2)F)C1=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC20H13F4NO3Sc12819(27)1617(26)15(9115713(21)8611)2918(16)251442312(1014)20(2223)24h21025H1H3b159
METHYL(5Z)5((4FLUOROPHENYL)METHYLIDENE)4OXO2(3(TRIFLUOROMETHYL)ANILINO)THIOPHENE3CARBOXYLATE
METHYL(5Z)5(4FLUOROBENZYLIDENE)4OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD06239696
ZINC000008750246
ZINC08750246
ZINC8750246
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