Vitas-M small molecule compound
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxopropanenitrile
Catalog ID
STL434910
SMILES N#CCC(=O)c1cc(OC)c2c(c1OC)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 C12H11NO5 MW 249.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11NO5/c1-15-9-5-7(8(14)3-4-13)10(16-2)12-11(9)17-6-18-12/h5H,3,6H2,1-2H3InChIKey
QKUNKDXWHUQKSS-UHFFFAOYSA-NSynonyms
3(47dimethoxy13benzodioxol5yl)3oxopropanenitrile
COC1=C2C(=C(C(=C1)C(=O)CC#N)OC)OCO2
InChI=1SC12H11NO5c115957(8(14)3413)10(162)1211(9)1761812h5H36H212H3
MFCD24540279
ZINC000085341713
ZINC85341713
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