Vitas-M small molecule compound
4-methoxy-5-[(3E)-4-(4-methoxyphenyl)-2-oxobut-3-en-1-yl]-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552941
SMILES COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1ccc(cc1)OC)[N+](CC2)(C)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 C24H28NO5 MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28NO5/c1-25(2)12-11-17-13-21-23(30-15-29-21)24(28-4)22(17)20(25)14-18(26)8-5-16-6-9-19(27-3)10-7-16/h5-10,13,20H,11-12,14-15H2,1-4H3/q+1/b8-5+InChIKey
FJNWTLFDBNUEMT-VMPITWQZSA-NSynonyms
(~(E))1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)4(4methoxyphenyl)but3en2one
(E)1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)4(4METHOXYPHENYL)BUT3EN2ONE
(E)4methoxy5(4(4methoxyphenyl)2oxobut3en1yl)66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
4methoxy5((3E)4(4methoxyphenyl)2oxobut3en1yl)66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5897136
COc1c2OCOc2cc2c1C(CC(=O)C=Cc1ccc(cc1)OC)(N+)(CC2)(C)C(I)
InChI=1SC24H28NO5c125(2)121117132123(30152921)24(284)22(17)20(25)1418(26)85166919(273)10716h5101320H11121415H214H3q+1b85+
ZINC000001279997
ZINC000001279999
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