Vitas-M small molecule compound

1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethanone

Catalog ID
STK695681
SMILES COc1cc(C(=O)C)c(c2c1OCO2)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 C11H12O5 MW 224.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12O5/c1-6(12)7-4-8(13-2)10-11(9(7)14-3)16-5-15-10/h4H,5H2,1-3H3
InChIKey
QHZFSMULJWYBIX-UHFFFAOYSA-N
Synonyms
1160472-87-6
1(47dimethoxy13benzodioxol5yl)ethanone
1(47DIMETHOXY2H13BENZODIOXOL5YL)ETHANONE
1160472876
5ACETYL47DIMETHOXY2HBENZO(D)13DIOXOLANE
CC(=O)C1=CC(=C2C(=C1OC)OCO2)OC
InChI=1SC11H12O5c16(12)748(132)1011(9(7)143)1651510h4H5H213H3
MFCD11983408
ZINC000034929289
ZINC34929289

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Available files

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