Vitas-M small molecule compound
methyl 3-(4-hydroxyphenyl)-3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL409893
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1cc(F)c(cc1F)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 C20H17F3N2O4 MW 406.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N2O4/c1-29-18(27)8-13(10-2-4-12(26)5-3-10)19-17(24-25-20(19)28)7-11-6-15(22)16(23)9-14(11)21/h2-6,9,13,26H,7-8H2,1H3,(H2,24,25,28)InChIKey
IKNRJJJDMOFIIW-UHFFFAOYSA-NSynonyms
1574361-06-01574361060
COC(=O)CC(C1=CC=C(C=C1)O)C2=C(NNC2=O)CC3=CC(=C(C=C3F)F)F
COC(=O)CC(c1c((nH)nc1O)Cc1cc(F)c(cc1F)F)c1ccc(cc1)O
InChI=1SC20H17F3N2O4c12918(27)813(102412(26)5310)1917(242520(19)28)711615(22)16(23)914(11)21h2691326H78H21H3(H2242528)
methyl3(4hydroxyphenyl)3(3hydroxy5(245trifluorobenzyl)1Hpyrazol4yl)propanoate
methyl3(4hydroxyphenyl)3(3oxo5((245trifluorophenyl)methyl)12dihydropyrazol4yl)propanoate
MFCD30705934
ZINC000096231145
ZINC000096231146
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