Vitas-M small molecule compound
5-(5-bromo-1H-indol-1-yl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553001
SMILES COc1c2OCOc2cc2c1C(n1ccc3c1ccc(c3)Br)[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 C21H22BrN2O3 MW 430.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN2O3/c1-24(2)9-7-14-11-17-19(27-12-26-17)20(25-3)18(14)21(24)23-8-6-13-10-15(22)4-5-16(13)23/h4-6,8,10-11,21H,7,9,12H2,1-3H3/q+1InChIKey
ACGSDMOCSZJJDJ-UHFFFAOYSA-NSynonyms
3848116
5(5bromo1Hindol1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(5bromo1Hindol1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5(5bromoindol1yl)4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium
5(5BROMOINDOL1YL)4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM
COc1c2OCOc2cc2c1C(n1ccc3c1ccc(c3)Br)(N+)(CC2)(C)C(I)
InChI=1SC21H22BrN2O3c124(2)9714111719(27122617)20(253)18(14)21(24)2386131015(22)4516(13)23h468101121H7912H213H3q+1
ZINC000001322550
ZINC000001322551
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