Vitas-M small molecule compound
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STL402806
SMILES CC(C(=O)N1N=C(CC1(O)C(F)(F)F)C)Cn1ncc(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 C12H14F3N5O4 MW 349.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14F3N5O4/c1-7(5-18-6-9(4-16-18)20(23)24)10(21)19-11(22,12(13,14)15)3-8(2)17-19/h4,6-7,22H,3,5H2,1-2H3InChIKey
FUFXWJIGEOPSTD-UHFFFAOYSA-NSynonyms
1005636-16-71(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)2methyl3(4nitro1Hpyrazol1yl)propan1one
1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2METHYL3(4NITROPYRAZOL1YL)PROPAN1ONE
1005636167
CC(C(=O)N1N=C(CC1(O)C(F)(F)F)C)Cn1ncc(c1)(N+)(=O)(O)
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(C)CN2C=C(C=N2)(N+)(=O)(O)
InChI=1SC12H14F3N5O4c17(51869(41618)20(23)24)10(21)1911(2212(1314)15)38(2)1719h46722H35H212H3
MFCD04046692
ZINC000006394279
ZINC000006394949
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