Vitas-M small molecule compound
5-[2-(4-bromophenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553327
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)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 C21H23BrNO4 MW 433.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrNO4/c1-23(2)9-8-14-10-18-20(27-12-26-18)21(25-3)19(14)16(23)11-17(24)13-4-6-15(22)7-5-13/h4-7,10,16H,8-9,11-12H2,1-3H3/q+1InChIKey
CUEFXDQMKUXRAS-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1(4BROMOPHENYL)2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
3586837
5(2(4bromophenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(4bromophenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)Br)(N+)(CC2)(C)C(I)
InChI=1SC21H23BrNO4c123(2)9814101820(27122618)21(253)19(14)16(23)1117(24)134615(22)7513h471016H891112H213H3q+1
ZINC000002102514
ZINC000002102516
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