Vitas-M small molecule compound
9-bromo-4-methoxy-6-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553527
SMILES COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)CC(=O)c1ccc(cc1)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 C21H23BrNO5 MW 449.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrNO5/c1-23(11-17(24)13-4-6-14(25-2)7-5-13)9-8-15-16(10-23)19(26-3)21-20(18(15)22)27-12-28-21/h4-7H,8-12H2,1-3H3/q+1InChIKey
NFTBNNVFKJRTEP-UHFFFAOYSA-NSynonyms
132352129
2(9bromo4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)1(4methoxyphenyl)ethanone
9bromo4methoxy6(2(4methoxyphenyl)2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
9bromo4methoxy6(2(4methoxyphenyl)2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
COc1c2C(N+)(C)(CCc2c(c2c1OCO2)Br)CC(=O)c1ccc(cc1)OC(Br)
InChI=1SC21H23BrNO5c123(1117(24)134614(252)7513)981516(1023)19(263)2120(18(15)22)27122821h47H812H213H3q+1
ZINC000824528217
ZINC000824528218
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