Vitas-M small molecule compound
methyl (2Z)-2-{[1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819759
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])/O2
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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 C26H17N3O6 MW 467.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N3O6/c1-34-26(31)17-7-12-22-21(13-17)25(30)23(35-22)14-18-15-28(19-8-10-20(11-9-19)29(32)33)27-24(18)16-5-3-2-4-6-16/h2-15H,1H3/b23-14-InChIKey
HRYPXLWTWZGLLC-UCQKPKSFSA-NSynonyms
956815-04-6956815046
COC(=O)C1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C2=O
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccccc1)c1ccc(cc1)(N+)(=O)(O))O2
InChI=1SC26H17N3O6c13426(31)177122221(1317)25(30)23(3522)14181528(1981020(11919)29(32)33)2724(18)165324616h215H1H3b2314
methyl(2Z)2((1(4nitrophenyl)3phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((1(4nitrophenyl)3phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD04448609
ZINC000009972417
ZINC09972417
ZINC9972417
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