Vitas-M small molecule compound
9-bromo-6-[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553530
SMILES COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)Cc1cc(=O)oc2c1ccc(c2)O
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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 C22H21BrNO6 MW 475.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO6/c1-24(9-12-7-18(26)30-17-8-13(25)3-4-14(12)17)6-5-15-16(10-24)20(27-2)22-21(19(15)23)28-11-29-22/h3-4,7-8H,5-6,9-11H2,1-2H3/p+1InChIKey
LRDVDYNNCSLNAR-UHFFFAOYSA-OSynonyms
132351999
4((9bromo4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)methyl)7hydroxychromen2one
9bromo6((7hydroxy2oxo2Hchromen4yl)methyl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
9bromo6((7hydroxy2oxo2Hchromen4yl)methyl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumchloride
COc1c2C(N+)(C)(CCc2c(c2c1OCO2)Br)Cc1cc(=O)oc2c1ccc(c2)O(Cl)
InChI=1SC22H20BrNO6c124(912718(26)3017813(25)3414(12)17)651516(1024)20(272)2221(19(15)23)28112922h3478H56911H212H3p+1
ZINC000824528211
ZINC000824528212
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