Vitas-M small molecule compound
ethyl 4-{(4Z)-3-chloro-4-[(5-nitrofuran-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Catalog ID
STL367786
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C\c2ccc(o2)[N+](=O)[O-])/C1=O)Cl
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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 C17H12ClN3O6 MW 389.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O6/c1-2-26-17(23)10-3-5-11(6-4-10)20-16(22)13(15(18)19-20)9-12-7-8-14(27-12)21(24)25/h3-9H,2H2,1H3/b13-9+InChIKey
KXBDGCHONRCSDB-UKTHLTGXSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)(N+)(=O)(O))C(=N2)Cl
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(o2)(N+)(=O)(O))C1=O)Cl
ethyl4((4Z)3chloro4((5nitrofuran2yl)methylidene)5oxo45dihydro1Hpyrazol1yl)benzoate
ethyl4((4Z)3chloro4((5nitrofuran2yl)methylidene)5oxopyrazol1yl)benzoate
InChI=1SC17H12ClN3O6c122617(23)103511(6410)2016(22)13(15(18)1920)9127814(2712)21(24)25h39H2H21H3b139+
MFCD28951919
ZINC000096191216
ZINC96191216
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