Vitas-M small molecule compound

diprop-2-en-1-yl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK226690
SMILES C=CCOC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)OC)OC)C(=O)OCC=C)(C)O

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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 C23H28O8 MW 432.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O8/c1-6-10-30-21(25)19-15(24)13-23(3,27)20(22(26)31-11-7-2)18(19)14-8-9-16(28-4)17(12-14)29-5/h6-9,12,18-20,27H,1-2,10-11,13H2,3-5H3
InChIKey
FYTVLKXIRDHQFJ-UHFFFAOYSA-N
Synonyms

bis(prop2enyl)2(34dimethoxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
CC1(CC(=O)C(C(C1C(=O)OCC=C)C2=CC(=C(C=C2)OC)OC)C(=O)OCC=C)O
diprop2en1yl2(34dimethoxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC23H28O8c16103021(25)1915(24)1323(327)20(22(26)311172)18(19)148916(284)17(1214)295h6912182027H12101113H235H3
MFCD03883641
ZINC000009556731
ZINC000239046893

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Available files

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