Vitas-M small molecule compound
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK306147
SMILES FC(C1(O)CC(=NN1C(=O)C(n1ncc(c1)[N+](=O)[O-])(C)C)C(F)F)F
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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 C12H13F4N5O4 MW 367.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13F4N5O4/c1-11(2,19-5-6(4-17-19)21(24)25)10(22)20-12(23,9(15)16)3-7(18-20)8(13)14/h4-5,8-9,23H,3H2,1-2H3InChIKey
NIDNUABKXVJIKU-UHFFFAOYSA-NSynonyms
1005614-20-91(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2methyl2(4nitro1Hpyrazol1yl)propan1one
1(35bis(difluoromethyl)5hydroxy4Hpyrazol1yl)2methyl2(4nitropyrazol1yl)propan1one
1005614209
CC(C)(C(=O)N1C(CC(=N1)C(F)F)(C(F)F)O)N2C=C(C=N2)(N+)(=O)(O)
FC(C1(O)CC(=NN1C(=O)C(n1ncc(c1)(N+)(=O)(O))(C)C)C(F)F)F
InChI=1SC12H13F4N5O4c111(21956(41719)21(24)25)10(22)2012(239(15)16)37(1820)8(13)14h458923H3H212H3
MFCD04046809
ZINC000006385813
ZINC000006385817
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