Vitas-M small molecule compound

4-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}benzoic acid

Catalog ID
STK000469
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)C(=O)O)C(=O)c1cccc(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 C22H12N2O7 MW 416.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12N2O7/c25-19(13-2-1-3-16(10-13)24(30)31)14-6-9-17-18(11-14)21(27)23(20(17)26)15-7-4-12(5-8-15)22(28)29/h1-11H,(H,28,29)
InChIKey
RSKKIIOBPZIHBA-UHFFFAOYSA-N
Synonyms

4(5((3NITROPHENYL)CARBONYL)13DIOXO13DIHYDRO2HISOINDOL2YL)BENZOICACID
4(5((3NITROPHENYL)CARBONYL)13DIOXOBENZO(C)AZOLIN2YL)BENZOICACID
4(5(3NITROBENZOYL)13DIOXO13DIHYDRO2HISOINDOL2YL)BENZOICACID
4(5(3NITROBENZOYL)13DIOXOISOINDOL2YL)BENZOICACID
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O
InChI=1SC22H12N2O7c2519(1321316(1013)24(30)31)14691718(1114)21(27)23(20(17)26)157412(5815)22(28)29h111H(H2829)
MFCD00570659
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)C(=O)O)C(=O)c1cccc(c1)(N+)(=O)(O)
STK000469
ZINC000001234970
ZINC1234970

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Available files

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