Vitas-M small molecule compound

3,5-dimethylphenyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK257736
SMILES Cc1cc(cc(c1)C)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2CC1

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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 C24H23NO4 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO4/c1-13-8-14(2)10-19(9-13)29-24(28)17-4-3-5-18(12-17)25-22(26)20-15-6-7-16(11-15)21(20)23(25)27/h3-5,8-10,12,15-16,20-21H,6-7,11H2,1-2H3
InChIKey
PLZQPLKWHYMHFV-UHFFFAOYSA-N
Synonyms

35DIMETHYLPHENYL3(13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
CC1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O)C
InChI=1SC24H23NO4c113814(2)1019(913)2924(28)1743518(1217)2522(26)20156716(1115)21(20)23(25)27h358101215162021H6711H212H3
MFCD03577270
ZINC000100953523
ZINC000101903567

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Available files

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