Vitas-M small molecule compound
methyl 4-[(3-chloro-4-methylphenyl)amino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Catalog ID
STL174693
SMILES COC(=O)C(C(F)(F)F)(CC(=O)Nc1ccc(c(c1)Cl)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 C13H13ClF3NO4 MW 339.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClF3NO4/c1-7-3-4-8(5-9(7)14)18-10(19)6-12(21,11(20)22-2)13(15,16)17/h3-5,21H,6H2,1-2H3,(H,18,19)InChIKey
IZIAQEZMQCTNMK-UHFFFAOYSA-NSynonyms
438194-57-1438194571
CC1=C(C=C(C=C1)NC(=O)CC(C(=O)OC)(C(F)(F)F)O)Cl
InChI=1SC13H13ClF3NO4c17348(59(7)14)1810(19)612(2111(20)222)13(1516)17h3521H6H212H3(H1819)
methyl4((3chloro4methylphenyl)amino)2hydroxy4oxo2(trifluoromethyl)butanoate
METHYL4(3CHLORO4METHYLANILINO)2HYDROXY4OXO2(TRIFLUOROMETHYL)BUTANOATE
MFCD02605166
ZINC000002801957
ZINC000002801958
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