Vitas-M small molecule compound
methyl 3-(3-hydroxy-4-methoxyphenyl)-3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL408050
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1cc(F)c(cc1F)F)c1ccc(c(c1)O)OC
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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/c1-30-18-4-3-10(7-17(18)27)12(8-19(28)31-2)20-16(25-26-21(20)29)6-11-5-14(23)15(24)9-13(11)22/h3-5,7,9,12,27H,6,8H2,1-2H3,(H2,25,26,29)InChIKey
HWNIEKIWLBUOQM-UHFFFAOYSA-NSynonyms
1574397-68-41574397684
COC(=O)CC(c1c((nH)nc1O)Cc1cc(F)c(cc1F)F)c1ccc(c(c1)O)OC
COC1=C(C=C(C=C1)C(CC(=O)OC)C2=C(NNC2=O)CC3=CC(=C(C=C3F)F)F)O
InChI=1SC21H19F3N2O5c130184310(717(18)27)12(819(28)312)2016(252621(20)29)611514(23)15(24)913(11)22h35791227H68H212H3(H2252629)
methyl3(3hydroxy4methoxyphenyl)3(3hydroxy5(245trifluorobenzyl)1Hpyrazol4yl)propanoate
methyl3(3hydroxy4methoxyphenyl)3(3oxo5((245trifluorophenyl)methyl)12dihydropyrazol4yl)propanoate
MFCD30705024
ZINC000096231226
ZINC000096231227
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