Vitas-M small molecule compound

2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)-4-nitrobenzoic acid

Catalog ID
STK270240
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1cc(ccc1C(=O)O)[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 C16H16N2O6 MW 332.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6/c1-8-2-4-10-12(6-8)15(20)17(14(10)19)13-7-9(18(23)24)3-5-11(13)16(21)22/h3,5,7-8,10,12H,2,4,6H2,1H3,(H,21,22)
InChIKey
BWIBNESTAZDYGU-UHFFFAOYSA-N
Synonyms

2(5methyl13dioxo3a45677ahexahydroisoindol2yl)4nitrobenzoicacid
2(5methyl13dioxooctahydro2Hisoindol2yl)4nitrobenzoicacid
CC1CCC2C(C1)C(=O)N(C2=O)c1cc(ccc1C(=O)O)(N+)(=O)(O)
CC1CCC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)(N+)(=O)(O))C(=O)O
InChI=1SC16H16N2O6c18241012(68)15(20)17(14(10)19)1379(18(23)24)3511(13)16(21)22h35781012H246H21H3(H2122)
MFCD02020330
ZINC000009583523
ZINC000239025599

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Available files

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