Vitas-M small molecule compound
methyl 2-[(2-fluorophenyl)amino]-4-oxo-5-[4-(trifluoromethyl)benzyl]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK982680
SMILES COC(=O)C1=C(SC(C1=O)Cc1ccc(cc1)C(F)(F)F)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 C20H15F4NO3S MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F4NO3S/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/h2-9,15,25H,10H2,1H3InChIKey
CRQJZDWYVAQHPN-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC(C1=O)CC2=CC=C(C=C2)C(F)(F)F)NC3=CC=CC=C3F
InChI=1SC20H15F4NO3Sc12819(27)1617(26)15(10116812(9711)20(2223)24)2918(16)2514532413(14)21h291525H10H21H3
methyl2((2fluorophenyl)amino)4oxo5(4(trifluoromethyl)benzyl)45dihydrothiophene3carboxylate
methyl2(2fluoroanilino)4oxo5((4(trifluoromethyl)phenyl)methyl)thiophene3carboxylate
MFCD18181543
ZINC000102826986
ZINC000102826987
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