Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(2,3,4-trifluorophenyl)propanoate
Catalog ID
STL317573
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(c(c1F)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 C14H13F3N2O3 MW 314.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13F3N2O3/c1-6-11(14(21)19-18-6)8(5-10(20)22-2)7-3-4-9(15)13(17)12(7)16/h3-4,8H,5H2,1-2H3,(H2,18,19,21)InChIKey
XLBSMBMDXLGIHR-UHFFFAOYSA-NSynonyms
1435898-91-11435898911
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=C(C(=C(C=C2)F)F)F
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(c(c1F)F)F
InChI=1SC14H13F3N2O3c1611(14(21)19186)8(510(20)222)7349(15)13(17)12(7)16h348H5H212H3(H2181921)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(234trifluorophenyl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(234trifluorophenyl)propanoate
MFCD28028462
ZINC000095478644
ZINC000095478645
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