Vitas-M small molecule compound

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

Catalog ID
STK267939
SMILES CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)C

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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 C24H25NO5 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5/c1-3-4-5-6-7-13-30-24(29)18-11-12-20-21(15-18)23(28)25(22(20)27)19-10-8-9-17(14-19)16(2)26/h8-12,14-15H,3-7,13H2,1-2H3
InChIKey
TUAUCCMXLLKNAH-UHFFFAOYSA-N
Synonyms

CCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)C
heptyl2(3acetylphenyl)13dioxo23dihydro1Hisoindole5carboxylate
HEPTYL2(3ACETYLPHENYL)13DIOXOBENZO(C)AZOLINE5CARBOXYLATE
HEPTYL2(3ACETYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
InChI=1SC24H25NO5c134567133024(29)1811122021(1518)23(28)25(22(20)27)19108917(1419)16(2)26h8121415H3713H212H3
MFCD01017605
ZINC000097950836
ZINC97950836

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Available files

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