Vitas-M small molecule compound

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

Catalog ID
STK049422
SMILES OC(=O)c1ccc(c(c1)N1C(=O)c2c(C1=O)ccc(c2)Oc1cccc(c1)[N+](=O)[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 C21H12N2O8 MW 420.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O8/c24-18-7-4-11(21(27)28)8-17(18)22-19(25)15-6-5-14(10-16(15)20(22)26)31-13-3-1-2-12(9-13)23(29)30/h1-10,24H,(H,27,28)
InChIKey
QJYFNJFRWHJSDU-UHFFFAOYSA-N
Synonyms

4HYDROXY3(5(3NITROPHENOXY)13DIOXO13DIHYDRO2HISOINDOL2YL)BENZOICACID
4HYDROXY3(5(3NITROPHENOXY)13DIOXOISOINDOL2YL)BENZOICACID
C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=CC(=C4)C(=O)O)O)(N+)(=O)(O)
InChI=1SC21H12N2O8c24187411(21(27)28)817(18)2219(25)156514(1016(15)20(22)26)311331212(913)23(29)30h11024H(H2728)
MFCD01005632
OC(=O)c1ccc(c(c1)N1C(=O)c2c(C1=O)ccc(c2)Oc1cccc(c1)(N+)(=O)(O))O
STK049422
ZINC000013943441
ZINC13943441

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Available files

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