Vitas-M small molecule compound

biphenyl-4-yl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK286523
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1)Oc1ccc(cc1)c1ccccc1

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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 C28H21NO4 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21NO4/c30-26-24-19-9-10-20(15-19)25(24)27(31)29(26)22-8-4-7-21(16-22)28(32)33-23-13-11-18(12-14-23)17-5-2-1-3-6-17/h1-14,16,19-20,24-25H,15H2
InChIKey
QBVYKBZNOALQIC-UHFFFAOYSA-N
Synonyms

biphenyl4yl3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC5=CC=C(C=C5)C6=CC=CC=C6
InChI=1SC28H21NO4c3026241991020(1519)25(24)27(31)29(26)2284721(1622)28(32)3323131118(121423)175213617h1141619202425H15H2
MFCD03274230
ZINC000102518606
ZINC000102642542

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Available files

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