Vitas-M small molecule compound

2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

Catalog ID
STK286001
SMILES CCCCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=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 C23H23NO6 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6/c1-2-3-4-5-6-13-30-23(29)15-7-10-17(11-8-15)24-20(25)18-12-9-16(22(27)28)14-19(18)21(24)26/h7-12,14H,2-6,13H2,1H3,(H,27,28)
InChIKey
RKMXASNHKVVNJB-UHFFFAOYSA-N
Synonyms

2(4((heptyloxy)carbonyl)phenyl)13dioxo23dihydro1Hisoindole5carboxylicacid
2(4HEPTOXYCARBONYLPHENYL)13DIOXOISOINDOLE5CARBOXYLICACID
CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI=1SC23H23NO6c123456133023(29)1571017(11815)2420(25)1812916(22(27)28)1419(18)21(24)26h71214H2613H21H3(H2728)
MFCD00339851
ZINC000002923787
ZINC2923787

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Available files

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