Vitas-M small molecule compound

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

Catalog ID
STK274740
SMILES Brc1ccc(cc1)OC(=O)c1ccc(cc1)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 C22H18BrNO4 MW 440.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO4/c23-15-5-9-17(10-6-15)28-22(27)12-3-7-16(8-4-12)24-20(25)18-13-1-2-14(11-13)19(18)21(24)26/h3-10,13-14,18-19H,1-2,11H2
InChIKey
TWNZNTLBZFMBAY-UHFFFAOYSA-N
Synonyms

4bromophenyl4(13dioxooctahydro2H47methanoisoindol2yl)benzoate
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC=C(C=C5)Br
InChI=1SC22H18BrNO4c23155917(10615)2822(27)123716(8412)2420(25)18131214(1113)19(18)21(24)26h31013141819H1211H2
MFCD03165080
ZINC000100918130
ZINC000101881613
ZINC09371474

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Available files

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