Vitas-M small molecule compound

methyl 4-{[3,5-bis(trifluoromethyl)phenyl]amino}-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

Catalog ID
STL169316
SMILES COC(=O)C(C(F)(F)F)(C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cl)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 C14H9ClF9NO4 MW 461.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9ClF9NO4/c1-29-10(27)11(28,14(22,23)24)8(15)9(26)25-7-3-5(12(16,17)18)2-6(4-7)13(19,20)21/h2-4,8,28H,1H3,(H,25,26)
InChIKey
NGHHGEJAMKZNMY-UHFFFAOYSA-N
Synonyms
515850-32-5
515850325
COC(=O)C(C(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Cl)(C(F)(F)F)O
InChI=1SC14H9ClF9NO4c12910(27)11(2814(2223)24)8(15)9(26)25735(12(1617)18)26(47)13(1920)21h24828H1H3(H2526)
methyl4((35bis(trifluoromethyl)phenyl)amino)3chloro2hydroxy4oxo2(trifluoromethyl)butanoate
METHYL4(35BIS(TRIFLUOROMETHYL)ANILINO)3CHLORO2HYDROXY4OXO2(TRIFLUOROMETHYL)BUTANOATE
MFCD02243651
ZINC000008455712
ZINC000008455715

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Available files

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