Vitas-M small molecule compound
methyl 4-{(4Z)-3-hydroxy-4-[(5-nitrofuran-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Catalog ID
STL383266
SMILES COC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)[N+](=O)[O-])/C1=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 C16H11N3O7 MW 357.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O7/c1-25-16(22)9-2-4-10(5-3-9)18-15(21)12(14(20)17-18)8-11-6-7-13(26-11)19(23)24/h2-8H,1H3,(H,17,20)/b12-8-InChIKey
LKIUMJGOPZJJLT-WQLSENKSSA-NSynonyms
COC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(o2)(N+)(=O)(O))C1=O)O
METHYL4((4Z)3HYDROXY4((5NITROFURAN2YL)METHYLIDENE)5OXO45DIHYDRO1HPYRAZOL1YL)BENZOATE
METHYL4((4Z)4((5NITROFURAN2YL)METHYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
MFCD28952759
ZINC000005123930
ZINC05123930
ZINC5123930
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