Vitas-M small molecule compound

dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxocyclohexane-1,1-dicarboxylate

Catalog ID
STK777839
SMILES COC(=O)C1(CCC(=O)CC1c1ccc2c(c1)OCO2)C(=O)OC

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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 C17H18O7 MW 334.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18O7/c1-21-15(19)17(16(20)22-2)6-5-11(18)8-12(17)10-3-4-13-14(7-10)24-9-23-13/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKey
TYKPXWCTSBHOLX-UHFFFAOYSA-N
Synonyms

COC(=O)C1(CCC(=O)CC1C2=CC3=C(C=C2)OCO3)C(=O)OC
CYCLOHEXANE11DICARBOXYLICACID2BENZO(13)DIOXOL5YL4OXODIMETHYLESTER
DIMETHYL(2S)2(13BENZODIOXOL5YL)4OXOCYCLOHEXANE11DICARBOXYLATE
dimethyl2(13benzodioxol5yl)4oxocyclohexane11dicarboxylate
InChI=1SC17H18O7c12115(19)17(16(20)222)6511(18)812(17)10341314(710)2492313h34712H5689H212H3
MFCD05855012
ZINC000001425875
ZINC000001425876

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Available files

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