Vitas-M small molecule compound

ethyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK428402
SMILES CCOC(=O)c1c(sc(c1C)C)NC(=O)C(C(C(F)(F)F)(F)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 C13H12F7NO3S MW 395.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F7NO3S/c1-4-24-9(22)7-5(2)6(3)25-8(7)21-10(23)11(14,15)12(16,17)13(18,19)20/h4H2,1-3H3,(H,21,23)
InChIKey
XINJRUCOGMITFW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
ethyl2((2233444heptafluorobutanoyl)amino)45dimethylthiophene3carboxylate
ethyl2(2233444heptafluorobutanoylamino)45dimethylthiophene3carboxylate
InChI=1SC13H12F7NO3Sc14249(22)75(2)6(3)258(7)2110(23)11(1415)12(1617)13(1819)20h4H213H3(H2123)
MFCD01357614
ZINC000002741869
ZINC02741869
ZINC2741869

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Available files

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