Vitas-M small molecule compound
methyl (5E)-4-oxo-2-(phenylamino)-5-[4-(trifluoromethyl)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158477
SMILES COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(cc2)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 C20H14F3NO3S MW 405.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14F3NO3S/c1-27-19(26)16-17(25)15(28-18(16)24-14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)20(21,22)23/h2-11,24H,1H3/b15-11+InChIKey
XZOHMKVWHLSCHJ-RVDMUPIBSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(cc2)C(F)(F)F)C1=O
COC(=O)C1=C(SC(=CC2=CC=C(C=C2)C(F)(F)F)C1=O)NC3=CC=CC=C3
InChI=1SC20H14F3NO3Sc12719(26)1617(25)15(2818(16)24145324614)11127913(10812)20(2122)23h21124H1H3b1511+
METHYL(5E)2ANILINO4OXO5((4(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
METHYL(5E)4OXO2(PHENYLAMINO)5(4(TRIFLUOROMETHYL)BENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679729
ZINC000002815809
ZINC02815809
ZINC2815809
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