Vitas-M small molecule compound
1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK311308
SMILES O=C(N1N=CCC1(O)C(F)(F)F)CCn1nc(cc1C)[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 C11H12F3N5O4 MW 335.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12F3N5O4/c1-7-6-8(19(22)23)16-17(7)5-2-9(20)18-10(21,3-4-15-18)11(12,13)14/h4,6,21H,2-3,5H2,1H3InChIKey
OXRFUVGAGCJERD-UHFFFAOYSA-NSynonyms
1005571-21-01(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)3(5methyl3nitro1Hpyrazol1yl)propan1one
1(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)3(5methyl3nitropyrazol1yl)propan1one
1005571210
CC1=CC(=NN1CCC(=O)N2C(CC=N2)(C(F)(F)F)O)(N+)(=O)(O)
InChI=1SC11H12F3N5O4c1768(19(22)23)1617(7)529(20)1810(21341518)11(1213)14h4621H235H21H3
MFCD04059979
O=C(N1N=CCC1(O)C(F)(F)F)CCn1nc(cc1C)(N+)(=O)(O)
ZINC000006787400
ZINC000006787406
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