Vitas-M small molecule compound

dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate

Catalog ID
STK764505
SMILES COC(=O)C1(C(=O)OC)C(CC(=O)CC1c1ccccc1)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 C22H22O5 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O5/c1-26-20(24)22(21(25)27-2)18(15-9-5-3-6-10-15)13-17(23)14-19(22)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3
InChIKey
FTUPPKXMEXHVCD-UHFFFAOYSA-N
Synonyms
41167-36-6
26DIPHENYL4OXO11CYCLOHEXANEDICARBOXYLICACIDDIMETHYLESTER
41167366
COC(=O)C1(C(CC(=O)CC1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC
dimethyl4oxo26diphenylcyclohexane11dicarboxylate
InChI=1SC22H22O5c12620(24)22(21(25)272)18(1595361015)1317(23)1419(22)16117481216h3121819H1314H212H3
MFCD02932939
ZINC000004558087
ZINC000012417410

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Available files

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