Vitas-M small molecule compound

heptyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK122754
SMILES CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)[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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-2-3-4-5-6-13-30-22(27)15-7-12-18-19(14-15)21(26)23(20(18)25)16-8-10-17(11-9-16)24(28)29/h7-12,14H,2-6,13H2,1H3
InChIKey
TUOHSPRYSWUNMZ-UHFFFAOYSA-N
Synonyms

CCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
HEPTYL2(4NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
HEPTYL2(4NITROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
HEPTYL2(4NITROPHENYL)13DIOXOISOINDOLINE5CARBOXYLATE
InChI=1SC22H22N2O6c123456133022(27)157121819(1415)21(26)23(20(18)25)1681017(11916)24(28)29h71214H2613H21H3
MFCD01017614
ZINC000008448956
ZINC08448956
ZINC8448956

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Available files

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