Vitas-M small molecule compound

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

Catalog ID
STK247359
SMILES CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl

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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 C22H21Cl2NO4 MW 434.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2NO4/c1-2-3-4-5-6-11-29-22(28)14-7-9-16-17(12-14)21(27)25(20(16)26)15-8-10-18(23)19(24)13-15/h7-10,12-13H,2-6,11H2,1H3
InChIKey
GEOSYSCYWCMVCF-UHFFFAOYSA-N
Synonyms

CCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
HEPTYL2(34DICHLOROPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
HEPTYL2(34DICHLOROPHENYL)13DIOXO5ISOINDOLINECARBOXYLATE
HEPTYL2(34DICHLOROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
InChI=1SC22H21Cl2NO4c123456112922(28)14791617(1214)21(27)25(20(16)26)1581018(23)19(24)1315h7101213H2611H21H3
MFCD01017622
ZINC000002062825
ZINC02062825
ZINC2062825

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Available files

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