Vitas-M small molecule compound

2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid

Catalog ID
STK253725
SMILES CCCCC(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C(=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 C14H14N2O6 MW 306.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O6/c1-2-3-6-10(14(19)20)15-12(17)8-5-4-7-9(16(21)22)11(8)13(15)18/h4-5,7,10H,2-3,6H2,1H3,(H,19,20)
InChIKey
OKWNWDANXPWWHI-UHFFFAOYSA-N
Synonyms
18635-93-3
18635933
2(4nitro13dioxo13dihydro2Hisoindol2yl)hexanoicacid
2(4NITRO13DIOXOISOINDOL2YL)HEXANOICACID
CCCCC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)(N+)(=O)(O)
CCCCC(N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))C(=O)O
InChI=1SC14H14N2O6c123610(14(19)20)1512(17)85479(16(21)22)11(8)13(15)18h45710H236H21H3(H1920)
MFCD00603471
ZINC000002502215
ZINC000004162333

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.