Vitas-M small molecule compound
5-[(3E)-4-(3,4-dimethoxyphenyl)-2-oxobut-3-en-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552835
SMILES COc1cc(/C=C/C(=O)CC2c3c(CC[N+]2(C)C)cc2c(c3OC)OCO2)ccc1OC
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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 C25H30NO6 MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30NO6/c1-26(2)11-10-17-13-22-24(32-15-31-22)25(30-5)23(17)19(26)14-18(27)8-6-16-7-9-20(28-3)21(12-16)29-4/h6-9,12-13,19H,10-11,14-15H2,1-5H3/q+1/b8-6+InChIKey
FBPUADOCHOWNFH-SOFGYWHQSA-NSynonyms
(~(E))4(34dimethoxyphenyl)1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)but3en2one
(E)4(34DIMETHOXYPHENYL)1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)BUT3EN2ONE
(E)5(4(34dimethoxyphenyl)2oxobut3en1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5((3E)4(34dimethoxyphenyl)2oxobut3en1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5863908
COc1cc(C=CC(=O)CC2c3c(CC(N+)2(C)C)cc2c(c3OC)OCO2)ccc1OC(I)
InChI=1SC25H30NO6c126(2)111017132224(32153122)25(305)23(17)19(26)1418(27)86167920(283)21(1216)294h69121319H10111415H215H3q+1b86+
ZINC000001820835
ZINC000001820837
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