Vitas-M small molecule compound
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-methylpropan-1-one
Catalog ID
STK311830
SMILES O=C(N1N=CCC1(O)C(F)(F)F)C(Cn1nc(c(c1C)[N+](=O)[O-])C)C
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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 C13H16F3N5O4 MW 363.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16F3N5O4/c1-7(6-19-9(3)10(21(24)25)8(2)18-19)11(22)20-12(23,4-5-17-20)13(14,15)16/h5,7,23H,4,6H2,1-3H3InChIKey
VESBHTANAUGEOL-UHFFFAOYSA-NSynonyms
1005623-75-51005623755
3(35dimethyl4nitro1Hpyrazol1yl)1(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)2methylpropan1one
3(35dimethyl4nitropyrazol1yl)1(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)2methylpropan1one
CC1=C(C(=NN1CC(C)C(=O)N2C(CC=N2)(C(F)(F)F)O)C)(N+)(=O)(O)
InChI=1SC13H16F3N5O4c17(6199(3)10(21(24)25)8(2)1819)11(22)2012(23451720)13(1415)16h5723H46H213H3
MFCD04140144
O=C(N1N=CCC1(O)C(F)(F)F)C(Cn1nc(c(c1C)(N+)(=O)(O))C)C
ZINC000006921010
ZINC000006921018
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