Vitas-M small molecule compound
(4Z)-2-(2,4-dimethylphenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL495768
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C/c2ccc(o2)[N+](=O)[O-])/C1=O)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 C17H15N3O4 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4/c1-10-4-6-15(11(2)8-10)19-17(21)14(12(3)18-19)9-13-5-7-16(24-13)20(22)23/h4-9H,1-3H3/b14-9-InChIKey
XQXMCOYUEBINSR-ZROIWOOFSA-NSynonyms
(4Z)2(24dimethylphenyl)5methyl4((5nitrofuran2yl)methylidene)24dihydro3Hpyrazol3one
(4Z)2(24DIMETHYLPHENYL)5METHYL4((5NITROFURAN2YL)METHYLIDENE)PYRAZOL3ONE
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)(N+)(=O)(O))C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=Cc2ccc(o2)(N+)(=O)(O))C1=O)C
InChI=1SC17H15N3O4c1104615(11(2)810)1917(21)14(12(3)1819)9135716(2413)20(22)23h49H13H3b149
MFCD03216826
ZINC000005961310
ZINC5961310
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