Vitas-M small molecule compound

ethyl 4-[(2,3-dimethylphenyl)amino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

Catalog ID
STK961168
SMILES CCOC(=O)C(C(F)(F)F)(CC(=O)Nc1cccc(c1C)C)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 C15H18F3NO4 MW 333.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18F3NO4/c1-4-23-13(21)14(22,15(16,17)18)8-12(20)19-11-7-5-6-9(2)10(11)3/h5-7,22H,4,8H2,1-3H3,(H,19,20)
InChIKey
MLXLVCKAYRUSPW-UHFFFAOYSA-N
Synonyms
445232-67-7
445232677
CCOC(=O)C(CC(=O)NC1=CC=CC(=C1C)C)(C(F)(F)F)O
ethyl4((23dimethylphenyl)amino)2hydroxy4oxo2(trifluoromethyl)butanoate
ethyl4(23dimethylanilino)2hydroxy4oxo2(trifluoromethyl)butanoate
InChI=1SC15H18F3NO4c142313(21)14(2215(1617)18)812(20)19117569(2)10(11)3h5722H48H213H3(H1920)
MFCD02244072
ZINC000002770043
ZINC000002770044

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Available files

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