Vitas-M small molecule compound
2-(4-nitrophenyl)-4-[(E)-(octylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK673303
SMILES CCCCCCCC/N=C/c1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])C(F)(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 C19H23F3N4O3 MW 412.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23F3N4O3/c1-2-3-4-5-6-7-12-23-13-16-17(19(20,21)22)24-25(18(16)27)14-8-10-15(11-9-14)26(28)29/h8-11,13,24H,2-7,12H2,1H3/b23-13+InChIKey
SORCEBGLUQUTGT-YDZHTSKRSA-NSynonyms
2(4nitrophenyl)4((E)(octylimino)methyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
CCCCCCCCN=Cc1c((nH)n(c1=O)c1ccc(cc1)(N+)(=O)(O))C(F)(F)F
MFCD01113827
ZINC000100057198
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