Vitas-M small molecule compound
methyl (2Z)-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819351
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/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)17-10-11-22-21(13-17)25(30)23(35-22)14-18-15-28(19-7-3-2-4-8-19)27-24(18)16-6-5-9-20(12-16)29(32)33/h2-15H,1H3/b23-14-InChIKey
YQZYIEUNADLJLD-UCQKPKSFSA-NSynonyms
956705-53-6956705536
COC(=O)C1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5)C2=O
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)O2
InChI=1SC26H17N3O6c13426(31)1710112221(1317)25(30)23(3522)14181528(197324819)2724(18)1665920(1216)29(32)33h215H1H3b2314
methyl(2Z)2((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
METHYL(2Z)2((3(3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO1BENZOFURAN5CARBOXYLATE
MFCD04448388
ZINC000002704765
ZINC02704765
ZINC2704765
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