Vitas-M small molecule compound
9-bromo-4-methoxy-6-methyl-6-[(6-methyl-2-oxo-2H-chromen-4-yl)methyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553528
SMILES COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)Cc1cc(=O)oc2c1cc(C)cc2
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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 C23H23BrNO5 MW 473.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrNO5/c1-13-4-5-18-16(8-13)14(9-19(26)30-18)10-25(2)7-6-15-17(11-25)21(27-3)23-22(20(15)24)28-12-29-23/h4-5,8-9H,6-7,10-12H2,1-3H3/q+1InChIKey
OPYOSHUAFAOECR-UHFFFAOYSA-NSynonyms
132351855
4((9bromo4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)methyl)6methylchromen2one
9bromo4methoxy6methyl6((6methyl2oxo2Hchromen4yl)methyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
9bromo4methoxy6methyl6((6methyl2oxo2Hchromen4yl)methyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumchloride
COc1c2C(N+)(C)(CCc2c(c2c1OCO2)Br)Cc1cc(=O)oc2c1cc(C)cc2(Cl)
InChI=1SC23H23BrNO5c113451816(813)14(919(26)3018)1025(2)761517(1125)21(273)2322(20(15)24)28122923h4589H671012H213H3q+1
ZINC000824528231
ZINC000824528241
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