Vitas-M small molecule compound
4-nitrobenzyl (2E)-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)but-2-enoate
Catalog ID
STK807127
SMILES O=C(OCc1ccc(cc1)[N+](=O)[O-])/C=C/Cn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C23H16N2O6 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O6/c26-20(31-14-15-9-11-17(12-10-15)25(29)30)8-3-13-24-22(27)18-6-1-4-16-5-2-7-19(21(16)18)23(24)28/h1-12H,13-14H2/b8-3+InChIKey
JIJDGFAGXSGOPT-FPYGCLRLSA-NSynonyms
(4NITROPHENYL)METHYL(E)4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUT2ENOATE
4nitrobenzyl(2E)4(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)but2enoate
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC=CC(=O)OCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H16N2O6c2620(31141591117(121015)25(29)30)83132422(27)186141652719(21(16)18)23(24)28h112H1314H2b83+
MFCD03621331
O=C(OCc1ccc(cc1)(N+)(=O)(O))C=CCn1c(=O)c2cccc3c2c(c1=O)ccc3
ZINC000015441247
ZINC15441247
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