Vitas-M small molecule compound

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

Catalog ID
STK247410
SMILES CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cc(Cl)ccc1Cl

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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 C21H19Cl2NO4 MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2NO4/c1-2-3-4-5-10-28-21(27)13-6-8-15-16(11-13)20(26)24(19(15)25)18-12-14(22)7-9-17(18)23/h6-9,11-12H,2-5,10H2,1H3
InChIKey
KZQXAWYVLIUQBT-UHFFFAOYSA-N
Synonyms

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl
HEXYL2(25DICHLOROPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
HEXYL2(25DICHLOROPHENYL)13DIOXO5ISOINDOLINECARBOXYLATE
HEXYL2(25DICHLOROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
InChI=1SC21H19Cl2NO4c12345102821(27)13681516(1113)20(26)24(19(15)25)181214(22)7917(18)23h691112H2510H21H3
MFCD01046644
ZINC000002062870
ZINC02062870
ZINC2062870

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Available files

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