Vitas-M small molecule compound

5-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylic acid

Catalog ID
STK010162
SMILES OC(=O)c1cc(cc(c1)C(=O)O)N1C(=O)c2c(C1=O)ccc(c2)Oc1cccc(c1)[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 C22H12N2O9 MW 448.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12N2O9/c25-19-17-5-4-16(33-15-3-1-2-13(9-15)24(31)32)10-18(17)20(26)23(19)14-7-11(21(27)28)6-12(8-14)22(29)30/h1-10H,(H,27,28)(H,29,30)
InChIKey
WXVRJSMFWYUKFE-UHFFFAOYSA-N
Synonyms
5233-13-6
5(5(3NITROPHENOXY)13DIOXO13DIHYDRO2HISOINDOL2YL)BENZENE13DICARBOXYLICACID
5(5(3NITROPHENOXY)13DIOXO13DIHYDROISOINDOL2YL)ISOPHTHALICACID
5(5(3NITROPHENOXY)13DIOXOISOINDOL2YL)BENZENE13DICARBOXYLICACID
5233136
C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O)(N+)(=O)(O)
InChI=1SC22H12N2O9c2519175416(331531213(915)24(31)32)1018(17)20(26)23(19)14711(21(27)28)612(814)22(29)30h110H(H2728)(H2930)
MFCD00316863
OC(=O)c1cc(cc(c1)C(=O)O)N1C(=O)c2c(C1=O)ccc(c2)Oc1cccc(c1)(N+)(=O)(O)
STK010162
ZINC000003144209
ZINC3144209

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Available files

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