Vitas-M small molecule compound

3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate

Catalog ID
STK268618
SMILES CCCCCCCCCC(=O)Oc1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br

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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 C25H31Br2NO4 MW 569.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31Br2NO4/c1-2-3-4-5-6-7-8-12-19(29)32-16-11-9-10-15(13-16)28-24(30)20-17-14-18(21(20)25(28)31)23(27)22(17)26/h9-11,13,17-18,20-23H,2-8,12,14H2,1H3
InChIKey
NIRMOMHGUKKFAF-UHFFFAOYSA-N
Synonyms

3(56dibromo13dioxooctahydro2H47methanoisoindol2yl)phenyldecanoate
CCCCCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC25H31Br2NO4c123456781219(29)32161191015(1316)2824(30)20171418(21(20)25(28)31)23(27)22(17)26h9111317182023H281214H21H3
MFCD01174775
ZINC000239165024
ZINC000239165027

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Available files

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