Vitas-M small molecule compound

6-(1,3-benzodioxol-5-yl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

Catalog ID
STL043256
SMILES CCOc1cc(cc(c2c1c(C)[o+]c2C)OCC)c1ccc2c(c1)OCO2

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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 C22H23O5 MW 367.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23O5/c1-5-23-19-10-16(15-7-8-17-18(9-15)26-12-25-17)11-20(24-6-2)22-14(4)27-13(3)21(19)22/h7-11H,5-6,12H2,1-4H3/q+1
InChIKey
QHECRIFYSQPVPE-UHFFFAOYSA-N
Synonyms

(6(13BENZODIOXOL5YL)4ETHOXY13DIMETHYLCYCLOHEPTA(C)FURAN8YLIDENE)ETHYLOXIDANIUM
(O)(Cl)(=O)(=O)=OCCOc1cc(cc(c2c1c(C)(o+)c2C)OCC)c1ccc2c(c1)OCO2
6(13benzodioxol5yl)48diethoxy13dimethylcyclohepta(c)furanium
6(benzo(d)(13)dioxol5yl)48diethoxy13dimethylcyclohepta(c)furan2iumperchlorate
CCOC1=CC(=CC(=(O+)CC)C2=C(OC(=C12)C)C)C3=CC4=C(C=C3)OCO4
CCOc1cc(cc(c2c1c(C)(o+)c2C)OCC)c1ccc2c(c1)OCO2
InChI=1SC22H23O5c1523191016(15781718(915)26122517)1120(2462)2214(4)2713(3)21(19)22h711H5612H214H3q+1
ZINC04754445
ZINC4754445

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Available files

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