Vitas-M small molecule compound
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
Catalog ID
STL433462
SMILES COc1ccc(cc1)C(C(=O)c1cc(OC)c2c(c1OC)OCO2)C#N
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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 C19H17NO6 MW 355.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO6/c1-22-12-6-4-11(5-7-12)14(9-20)16(21)13-8-15(23-2)18-19(17(13)24-3)26-10-25-18/h4-8,14H,10H2,1-3H3InChIKey
XORQGRQIUJXEHR-UHFFFAOYSA-NSynonyms
3(47dimethoxy13benzodioxol5yl)2(4methoxyphenyl)3oxopropanenitrile
COC1=CC=C(C=C1)C(C#N)C(=O)C2=CC(=C3C(=C2OC)OCO3)OC
InChI=1SC19H17NO6c122126411(5712)14(920)16(21)13815(232)1819(17(13)243)26102518h4814H10H213H3
MFCD25975864
ZINC000066089819
ZINC000066089821
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