Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]propanoate
Catalog ID
STL318971
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(cc1)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 C15H15F3N2O3 MW 328.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15F3N2O3/c1-8-13(14(22)20-19-8)11(7-12(21)23-2)9-3-5-10(6-4-9)15(16,17)18/h3-6,11H,7H2,1-2H3,(H2,19,20,22)InChIKey
PVXKLKIBORUHFM-UHFFFAOYSA-NSynonyms
1401595-54-71401595547
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(C=C2)C(F)(F)F
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(cc1)C(F)(F)F
InChI=1SC15H15F3N2O3c1813(14(22)20198)11(712(21)232)93510(649)15(1617)18h3611H7H212H3(H2192022)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(4(trifluoromethyl)phenyl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(4(trifluoromethyl)phenyl)propanoate
MFCD28031591
ZINC000079488091
ZINC000079488094
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