Vitas-M small molecule compound
methyl 3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]-3-(3-nitrophenyl)propanoate
Catalog ID
STL408353
SMILES COC(=O)CC(c1c(O)n[nH]c1Cc1cc(F)c(cc1F)F)c1cccc(c1)[N+](=O)[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 C20H16F3N3O5 MW 435.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N3O5/c1-31-18(27)8-13(10-3-2-4-12(5-10)26(29)30)19-17(24-25-20(19)28)7-11-6-15(22)16(23)9-14(11)21/h2-6,9,13H,7-8H2,1H3,(H2,24,25,28)InChIKey
BZNVFHXEUUOWFB-UHFFFAOYSA-NSynonyms
1574530-77-01574530770
COC(=O)CC(C1=CC(=CC=C1)(N+)(=O)(O))C2=C(NNC2=O)CC3=CC(=C(C=C3F)F)F
COC(=O)CC(c1c(O)n(nH)c1Cc1cc(F)c(cc1F)F)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H16F3N3O5c13118(27)813(1032412(510)26(29)30)1917(242520(19)28)711615(22)16(23)914(11)21h26913H78H21H3(H2242528)
methyl3(3hydroxy5(245trifluorobenzyl)1Hpyrazol4yl)3(3nitrophenyl)propanoate
methyl3(3nitrophenyl)3(3oxo5((245trifluorophenyl)methyl)12dihydropyrazol4yl)propanoate
MFCD30705180
ZINC000096231667
ZINC000096231668
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