Vitas-M small molecule compound
2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(3-methoxyphenyl)ethanone
Catalog ID
STL527970
SMILES COc1c2C(CC(=O)c3cccc(c3)OC)N(C)CCc2c(c2c1OCO2)Br
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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 C21H22BrNO5 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5/c1-23-8-7-14-17(19(26-3)21-20(18(14)22)27-11-28-21)15(23)10-16(24)12-5-4-6-13(9-12)25-2/h4-6,9,15H,7-8,10-11H2,1-3H3InChIKey
CJTFTLNERNIELR-UHFFFAOYSA-NSynonyms
2(9bromo4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(3methoxyphenyl)ethanone
2(9bromo4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(3methoxyphenyl)ethanonehydrobromide
2(9bromo4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)1(3methoxyphenyl)ethanone
2(9BROMO4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)1(3METHOXYPHENYL)ETHANONE
3434393
COc1c2C(CC(=O)c3cccc(c3)OC)N(C)CCc2c(c2c1OCO2)BrBr
InChI=1SC21H22BrNO5c123871417(19(263)2120(18(14)22)27112821)15(23)1016(24)1254613(912)252h46915H781011H213H3
MFCD03661078
ZINC000020410434
ZINC000020410437
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