Vitas-M small molecule compound

methyl 4-oxo-2-{[3-(trifluoromethyl)phenyl]amino}-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK158438
SMILES COC(=O)C1=C(SCC1=O)Nc1cccc(c1)C(F)(F)F

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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 C13H10F3NO3S MW 317.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10F3NO3S/c1-20-12(19)10-9(18)6-21-11(10)17-8-4-2-3-7(5-8)13(14,15)16/h2-5,17H,6H2,1H3
InChIKey
ZTCZWWJNGYGXSR-UHFFFAOYSA-N
Synonyms
431072-84-3
431072843
COC(=O)C1=C(SCC1=O)NC2=CC=CC(=C2)C(F)(F)F
InChI=1SC13H10F3NO3Sc12012(19)109(18)62111(10)1784237(58)13(1415)16h2517H6H21H3
METHYL4OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL4OXO2(3(TRIFLUOROMETHYL)ANILINO)THIOPHENE3CARBOXYLATE
MFCD02924623
ZINC000000301703
ZINC00301703
ZINC301703

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.