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Vitas-M small molecule compound

diethyl 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK040806
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)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 C20H24O8 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24O8/c1-4-25-18(22)16-12(21)9-20(3,24)17(19(23)26-5-2)15(16)11-6-7-13-14(8-11)28-10-27-13/h6-8,15-17,24H,4-5,9-10H2,1-3H3
InChIKey
HSXXKYCRIUTPKT-UHFFFAOYSA-N
Synonyms
6286-69-7
13DIETHYL2(2H13BENZODIOXOL5YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
2(13BENZODIOXOL5YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLICACIDDIETHYLESTER
2(13BENZODIOXOL5YL)4HYDROXY6KETO4METHYLCYCLOHEXANE13DICARBOXYLICACIDDIETHYLESTER
6286697
CCOC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)C(=O)OCC)(C)O
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC3=C(C=C2)OCO3
DIETHYL2(13BENZODIOXOL5YL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
DIETHYL2(13BENZODIOXOL5YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
DIETHYL2(13BENZODIOXOL5YL)4METHYL4OXIDANYL6OXIDANYLIDENECYCLOHEXANE13DICARBOXYLATE
DIETHYL2(BENZO(D)(13)DIOXOL5YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
ETHYL6(2HBENZO(34D)13DIOXOLEN5YL)5(ETHOXYCARBONYL)2HYDROXY2METHYL4OXOCYCLOHEXANECARBOXYLATE
InChI=1SC20H24O8c142518(22)1612(21)920(324)17(19(23)2652)15(16)11671314(811)28102713h68151724H45910H213H3
MFCD00717864
STK040806
ZINC000001009413
ZINC000005247546

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Available files

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