Vitas-M small molecule compound
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK305815
SMILES O=C(C(n1ncc(c1)[N+](=O)[O-])(C)C)N1N=C(CC1(O)C(F)(F)F)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 C12H14F3N5O4 MW 349.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14F3N5O4/c1-7-4-11(22,12(13,14)15)19(17-7)9(21)10(2,3)18-6-8(5-16-18)20(23)24/h5-6,22H,4H2,1-3H3InChIKey
AOMSKJNRMHAZPM-UHFFFAOYSA-NSynonyms
1005697-37-91(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)2methyl2(4nitro1Hpyrazol1yl)propan1one
1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2METHYL2(4NITROPYRAZOL1YL)PROPAN1ONE
1005697379
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(C)(C)N2C=C(C=N2)(N+)(=O)(O)
InChI=1SC12H14F3N5O4c17411(2212(1314)15)19(177)9(21)10(23)1868(51618)20(23)24h5622H4H213H3
MFCD04046243
O=C(C(n1ncc(c1)(N+)(=O)(O))(C)C)N1N=C(CC1(O)C(F)(F)F)C
ZINC000006394199
ZINC000006394800
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