Vitas-M small molecule compound
(2E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one
Catalog ID
STL513647
SMILES COc1c(cccc1OC)/C=C/C(=O)c1c2CCN(Cc2c(c2c1OCO2)OC)C
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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 C23H25NO6 MW 411.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO6/c1-24-11-10-15-16(12-24)21(28-4)23-22(29-13-30-23)19(15)17(25)9-8-14-6-5-7-18(26-2)20(14)27-3/h5-9H,10-13H2,1-4H3/b9-8+InChIKey
IWSMHYVDECGILP-CMDGGOBGSA-NSynonyms
1383425-78-2(~(E))3(23dimethoxyphenyl)1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(2E)3(23dimethoxyphenyl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(E)3(23dimethoxyphenyl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(E)3(23DIMETHOXYPHENYL)1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN9YL)PROP2EN1ONE
1383425782
5883194
COc1c(cccc1OC)C=CC(=O)c1c2CCN(Cc2c(c2c1OCO2)OC)C
InChI=1SC23H25NO6c12411101516(1224)21(284)2322(29133023)19(15)17(25)981465718(262)20(14)273h59H1013H214H3b98+
MFCD03006420
ZINC000020112931
ZINC20112931
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