Vitas-M small molecule compound
methyl 3-(4-hydroxyphenyl)-3-{3-hydroxy-5-[4-(trifluoromethoxy)benzyl]-1H-pyrazol-4-yl}propanoate
Catalog ID
STL407876
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc(cc1)OC(F)(F)F)c1ccc(cc1)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 C21H19F3N2O5 MW 436.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N2O5/c1-30-18(28)11-16(13-4-6-14(27)7-5-13)19-17(25-26-20(19)29)10-12-2-8-15(9-3-12)31-21(22,23)24/h2-9,16,27H,10-11H2,1H3,(H2,25,26,29)InChIKey
NJKUNRYRAPUWCH-UHFFFAOYSA-NSynonyms
1574290-30-41574290304
COC(=O)CC(C1=CC=C(C=C1)O)C2=C(NNC2=O)CC3=CC=C(C=C3)OC(F)(F)F
COC(=O)CC(c1c((nH)nc1O)Cc1ccc(cc1)OC(F)(F)F)c1ccc(cc1)O
InChI=1SC21H19F3N2O5c13018(28)1116(134614(27)7513)1917(252620(19)29)10122815(9312)3121(2223)24h291627H1011H21H3(H2252629)
methyl3(4hydroxyphenyl)3(3hydroxy5(4(trifluoromethoxy)benzyl)1Hpyrazol4yl)propanoate
methyl3(4hydroxyphenyl)3(3oxo5((4(trifluoromethoxy)phenyl)methyl)12dihydropyrazol4yl)propanoate
MFCD30704948
ZINC000096232055
ZINC000096232056
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