Vitas-M small molecule compound
5-bromo-2-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}benzaldehyde
Catalog ID
STL540250
SMILES O=Cc1cc(Br)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
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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 C22H20BrNO5 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5/c1-24-8-7-14-11-19-21(29-13-28-19)22(26-2)20(14)17(24)4-3-9-27-18-6-5-16(23)10-15(18)12-25/h5-6,10-12,17H,7-9,13H2,1-2H3InChIKey
ZMTAAPYHMJABGU-UHFFFAOYSA-NSynonyms
3795075
5bromo2((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)benzaldehyde
5bromo2((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)benzaldehydehydrochloride
5bromo2(3(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)prop2ynoxy)benzaldehyde
5BROMO2(3(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)PROP2YNOXY)BENZALDEHYDE
InChI=1SC22H20BrNO5c1248714111921(29132819)22(262)20(14)17(24)43927186516(23)1015(18)1225h56101217H7913H212H3
MFCD02925728
O=Cc1cc(Br)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1Cl
ZINC000020411220
ZINC000020411223
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