Vitas-M small molecule compound

butyl 2-(2,5-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK372159
SMILES CCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cc(C)ccc1C

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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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-4-5-10-26-21(25)15-8-9-16-17(12-15)20(24)22(19(16)23)18-11-13(2)6-7-14(18)3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKey
FVBAUKUFFVQENK-UHFFFAOYSA-N
Synonyms

butyl2(25dimethylphenyl)13dioxo23dihydro1Hisoindole5carboxylate
BUTYL2(25DIMETHYLPHENYL)13DIOXOBENZO(C)AZOLINE5CARBOXYLATE
BUTYL2(25DIMETHYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C)C
InChI=1SC21H21NO4c145102621(25)15891617(1215)20(24)22(19(16)23)181113(2)6714(18)3h691112H4510H213H3
MFCD00593673
ZINC000003196360
ZINC03196360
ZINC3196360

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Available files

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