Vitas-M small molecule compound

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

Catalog ID
STK247439
SMILES CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-2-3-4-5-6-12-30-22(27)15-10-11-18-19(13-15)21(26)23(20(18)25)16-8-7-9-17(14-16)24(28)29/h7-11,13-14H,2-6,12H2,1H3
InChIKey
NZQWZNRMVHKQEU-UHFFFAOYSA-N
Synonyms

CCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O)
HEPTYL2(3NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
HEPTYL2(3NITROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
HEPTYL2(3NITROPHENYL)13DIOXOISOINDOLINE5CARBOXYLATE
InChI=1SC22H22N2O6c123456123022(27)1510111819(1315)21(26)23(20(18)25)1687917(1416)24(28)29h7111314H2612H21H3
MFCD01017588
ZINC000002062807
ZINC02062807
ZINC2062807

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Available files

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