Vitas-M small molecule compound

methyl (5Z)-2-[(2-fluorophenyl)amino]-4-oxo-5-[4-(trifluoromethyl)benzylidene]-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK158499
SMILES COC(=O)C1=C(S/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O)Nc1ccccc1F

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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(10-11-6-8-12(9-7-11)20(22,23)24)29-18(16)25-14-5-3-2-4-13(14)21/h2-10,25H,1H3/b15-10-
InChIKey
VCPUWABWUNTROV-GDNBJRDFSA-N
Synonyms

COC(=O)C1=C(SC(=CC2=CC=C(C=C2)C(F)(F)F)C1=O)NC3=CC=CC=C3F
COC(=O)C1=C(SC(=Cc2ccc(cc2)C(F)(F)F)C1=O)Nc1ccccc1F
InChI=1SC20H13F4NO3Sc12819(27)1617(26)15(10116812(9711)20(2223)24)2918(16)2514532413(14)21h21025H1H3b1510
METHYL(5Z)2((2FLUOROPHENYL)AMINO)4OXO5(4(TRIFLUOROMETHYL)BENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL(5Z)2(2FLUOROANILINO)4OXO5((4(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
MFCD06239699
ZINC000008751337
ZINC08751337
ZINC8751337

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Available files

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