Vitas-M small molecule compound

heptyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK268071
SMILES CCCCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)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 C22H19Cl4NO4 MW 503.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl4NO4/c1-2-3-4-5-6-11-31-22(30)12-7-9-13(10-8-12)27-20(28)14-15(21(27)29)17(24)19(26)18(25)16(14)23/h7-10H,2-6,11H2,1H3
InChIKey
NXBDHFGDWYTCDG-UHFFFAOYSA-N
Synonyms

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl
heptyl4(4567tetrachloro13dioxo13dihydro2Hisoindol2yl)benzoate
heptyl4(4567tetrachloro13dioxoisoindol2yl)benzoate
InChI=1SC22H19Cl4NO4c123456113122(30)127913(10812)2720(28)1415(21(27)29)17(24)19(26)18(25)16(14)23h710H2611H21H3
MFCD01046621
ZINC000002062898
ZINC02062898
ZINC2062898

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Available files

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