Vitas-M small molecule compound
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK309078
SMILES CCC(n1nc(cc1C)[N+](=O)[O-])C(=O)N1N=C(CC1(O)C(F)F)C(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 C13H15F4N5O4 MW 381.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15F4N5O4/c1-3-8(20-6(2)4-9(19-20)22(25)26)11(23)21-13(24,12(16)17)5-7(18-21)10(14)15/h4,8,10,12,24H,3,5H2,1-2H3InChIKey
DMFVXYIKNNFCLQ-UHFFFAOYSA-NSynonyms
1005588-88-41(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2(5methyl3nitro1Hpyrazol1yl)butan1one
1(35bis(difluoromethyl)5hydroxy4Hpyrazol1yl)2(5methyl3nitropyrazol1yl)butan1one
1005588884
CCC(C(=O)N1C(CC(=N1)C(F)F)(C(F)F)O)N2C(=CC(=N2)(N+)(=O)(O))C
CCC(n1nc(cc1C)(N+)(=O)(O))C(=O)N1N=C(CC1(O)C(F)F)C(F)F
InChI=1SC13H15F4N5O4c138(206(2)49(1920)22(25)26)11(23)2113(2412(16)17)57(1821)10(14)15h48101224H35H212H3
MFCD04133459
ZINC000006554828
ZINC000006555274
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