Vitas-M small molecule compound
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methylpropan-1-one
Catalog ID
STL391166
SMILES CC1=NN(C(C1)(O)C(F)F)C(=O)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 C14H19F2N5O4 MW 359.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19F2N5O4/c1-7(6-19-10(4)11(21(24)25)9(3)18-19)12(22)20-14(23,13(15)16)5-8(2)17-20/h7,13,23H,5-6H2,1-4H3InChIKey
JVZYOBGTOUYTAU-UHFFFAOYSA-NSynonyms
1005614-55-01(5(difluoromethyl)5hydroxy3methyl45dihydro1Hpyrazol1yl)3(35dimethyl4nitro1Hpyrazol1yl)2methylpropan1one
1(5(difluoromethyl)5hydroxy3methyl4Hpyrazol1yl)3(35dimethyl4nitropyrazol1yl)2methylpropan1one
1005614550
CC1=NN(C(C1)(C(F)F)O)C(=O)C(C)CN2C(=C(C(=N2)C)(N+)(=O)(O))C
CC1=NN(C(C1)(O)C(F)F)C(=O)C(Cn1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC14H19F2N5O4c17(61910(4)11(21(24)25)9(3)1819)12(22)2014(2313(15)16)58(2)1720h71323H56H214H3
MFCD04046803
ZINC000006526398
ZINC000006526431
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