Vitas-M small molecule compound

2-(acetyloxy)-5-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid

Catalog ID
STL196848
SMILES CC(=O)Oc1ccc(cc1C(=O)O)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)[N+](=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 C23H14N2O9 MW 462.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N2O9/c1-12(26)33-20-9-4-14(10-19(20)23(29)30)24-21(27)17-8-7-16(11-18(17)22(24)28)34-15-5-2-13(3-6-15)25(31)32/h2-11H,1H3,(H,29,30)
InChIKey
VKIGNVXGHQZJJY-UHFFFAOYSA-N
Synonyms

2(acetyloxy)5(5(4nitrophenoxy)13dioxo13dihydro2Hisoindol2yl)benzoicacid
2acetyloxy5(5(4nitrophenoxy)13dioxoisoindol2yl)benzoicacid
CC(=O)OC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O))C(=O)O
CC(=O)Oc1ccc(cc1C(=O)O)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H14N2O9c112(26)33209414(1019(20)23(29)30)2421(27)178716(1118(17)22(24)28)34155213(3615)25(31)32h211H1H3(H2930)
MFCD01159544
ZINC000059487140
ZINC59487140

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Available files

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