Vitas-M small molecule compound

diethyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK830027
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)OCC)O)C(=O)OCC)(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/c1-5-27-15-10-12(8-9-13(15)22)16-17(19(24)28-6-2)14(23)11-21(4,26)18(16)20(25)29-7-3/h8-10,16-18,22,26H,5-7,11H2,1-4H3
InChIKey
ZVPURIHDZWQVOT-UHFFFAOYSA-N
Synonyms
1005268-14-3
1005268143
CCOC1=C(C=CC(=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC)O
DIETHYL(1S2R3R4S)2(3ETHOXY4HYDROXYPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
DIETHYL2(3ETHOXY4HYDROXYPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl2(3ethoxy4hydroxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC21H28O8c1527151012(8913(15)22)1617(19(24)2862)14(23)1121(426)18(16)20(25)2973h81016182226H5711H214H3
MFCD03304809
ZINC000001112466
ZINC000244900079

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Available files

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