Vitas-M small molecule compound

5,6-bis(4-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3,8-trione

Catalog ID
STK263885
SMILES O=C1OC(=O)C2C1C1(c3ccccc3)C(=C(C2(C1=O)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C

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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 C35H26O4 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26O4/c1-21-13-17-23(18-14-21)27-28(24-19-15-22(2)16-20-24)35(26-11-7-4-8-12-26)30-29(31(36)39-32(30)37)34(27,33(35)38)25-9-5-3-6-10-25/h3-20,29-30H,1-2H3
InChIKey
OJACJWCOYYNTTI-UHFFFAOYSA-N
Synonyms

56BIS(4METHYLPHENYL)47DIPHENYL3A477ATETRAHYDRO47METHANO2BENZOFURAN138TRIONE
CC1=CC=C(C=C1)C2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)OC4=O)C6=CC=CC=C6)C7=CC=C(C=C7)C
InChI=1SC35H26O4c121131723(181421)2728(24191522(2)162024)35(26117481226)3029(31(36)3932(30)37)34(2733(35)38)2595361025h3202930H12H3
MFCD02066518
ZINC000101025682
ZINC000229896977

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Available files

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