Vitas-M small molecule compound

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

Catalog ID
STK084041
SMILES O=C1N(c2cccc(c2)C(=O)O)C(=O)c2c1cc(cc2)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 C21H12N2O7 MW 404.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O7/c24-19-17-8-7-16(30-15-6-2-5-14(10-15)23(28)29)11-18(17)20(25)22(19)13-4-1-3-12(9-13)21(26)27/h1-11H,(H,26,27)
InChIKey
PUKGFBDFKILDJD-UHFFFAOYSA-N
Synonyms
330635-09-1
3(5(3NITROPHENOXY)13DIOXO13DIHYDRO2HISOINDOL2YL)BENZOICACID
3(5(3NITROPHENOXY)13DIOXOBENZO(C)AZOLIN2YL)BENZOICACID
3(5(3NITROPHENOXY)13DIOXOISOINDOL2YL)BENZOICACID
330635091
C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)(N+)(=O)(O))C(=O)O
InChI=1SC21H12N2O7c2419178716(301562514(1015)23(28)29)1118(17)20(25)22(19)1341312(913)21(26)27h111H(H2627)
MFCD00339804
O=C1N(c2cccc(c2)C(=O)O)C(=O)c2c1cc(cc2)Oc1cccc(c1)(N+)(=O)(O)
STK084041
ZINC000000754580
ZINC754580

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Available files

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