Vitas-M small molecule compound

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

Catalog ID
STK286514
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2ccc(cc2)c2ccccc2)C(=O)C2C1C1C=CC2C1

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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/c30-26-24-20-6-7-21(16-20)25(24)27(31)29(26)22-12-8-19(9-13-22)28(32)33-23-14-10-18(11-15-23)17-4-2-1-3-5-17/h1-15,20-21,24-25H,16H2
InChIKey
YFZZSZTXCPSGKZ-UHFFFAOYSA-N
Synonyms

biphenyl4yl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC=C(C=C5)C6=CC=CC=C6
InChI=1SC28H21NO4c302624206721(1620)25(24)27(31)29(26)2212819(91322)28(32)3323141018(111523)174213517h11520212425H16H2
MFCD03577432
ZINC000100970862
ZINC000239248168

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Available files

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