Vitas-M small molecule compound
dimethyl 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK373562
SMILES CCCOc1ccc(cc1OC)C1C(C(=O)OC)C(=O)CC(C1C(=O)OC)(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 C21H28O8 MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O8/c1-6-9-29-14-8-7-12(10-15(14)26-3)16-17(19(23)27-4)13(22)11-21(2,25)18(16)20(24)28-5/h7-8,10,16-18,25H,6,9,11H2,1-5H3InChIKey
OVBSUKWMFCUTJV-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=C(C=C1)C2C(C(=O)CC(C2C(=O)OC)(C)O)C(=O)OC)OC
dimethyl4hydroxy2(3methoxy4propoxyphenyl)4methyl6oxocyclohexane13dicarboxylate
InChI=1SC21H28O8c16929148712(1015(14)263)1617(19(23)274)13(22)1121(225)18(16)20(24)285h7810161825H6911H215H3
METHYL2HYDROXY5(METHOXYCARBONYL)6(3METHOXY4PROPOXYPHENYL)2METHYL4OXOCYCLOHEXANECARBOXYLATE
MFCD00785413
ZINC000004108492
ZINC000239173858
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Check stock on Vitas-MAvailable files
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