Vitas-M small molecule compound
9-[(2E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552969
SMILES CCOc1ccc(cc1OC)/C=C/C(=O)c1c2CC[N+](Cc2c(c2c1OCO2)OC)(C)CC(=O)OC
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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 C27H32NO8 MW 498.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32NO8/c1-6-34-21-10-8-17(13-22(21)31-3)7-9-20(29)24-18-11-12-28(2,15-23(30)32-4)14-19(18)25(33-5)27-26(24)35-16-36-27/h7-10,13H,6,11-12,14-16H2,1-5H3/q+1/b9-7+InChIKey
XZJFUHGPHLJXLY-VQHVLOKHSA-NSynonyms
(E)9(3(4ethoxy3methoxyphenyl)acryloyl)4methoxy6(2methoxy2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
5830951
9((2E)3(4ethoxy3methoxyphenyl)prop2enoyl)4methoxy6(2methoxy2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
CCOc1ccc(cc1OC)C=CC(=O)c1c2CC(N+)(Cc2c(c2c1OCO2)OC)(C)CC(=O)OC(Br)
InChI=1SC27H32NO8c16342110817(1322(21)313)7920(29)2418111228(21523(30)324)1419(18)25(335)2726(24)35163627h71013H611121416H215H3q+1b97+
methyl2(9((~(E))3(4ethoxy3methoxyphenyl)prop2enoyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetate
METHYL2(9((E)3(4ETHOXY3METHOXYPHENYL)PROP2ENOYL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETATE
ZINC000253390585
ZINC000253390587
ZINC9299943
Check stock
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