Vitas-M small molecule compound
[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Catalog ID
STL363546
SMILES CCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)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 C15H16F3N3O4 MW 359.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16F3N3O4/c1-2-3-6-11-9-14(23,15(16,17)18)20(19-11)13(22)10-5-4-7-12(8-10)21(24)25/h4-5,7-8,23H,2-3,6,9H2,1H3InChIKey
CEZYDQWIYNKDPS-UHFFFAOYSA-NSynonyms
(3butyl5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)(3nitrophenyl)methanone
(3BUTYL5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOL1YL)(3NITROPHENYL)METHANONE
3BUTYL1((3NITROPHENYL)CARBONYL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)(N+)(=O)(O)
CCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC15H16F3N3O4c123611914(2315(1617)18)20(1911)13(22)1054712(810)21(24)25h457823H2369H21H3
MFCD02238447
ZINC000004863173
ZINC000004863174
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