Vitas-M small molecule compound
5-[2-hydroxy-3-(2-methoxyphenyl)propyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553194
SMILES COc1c2OCOc2cc2c1C(CC(Cc1ccccc1OC)O)[N+](CC2)(C)C
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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 C23H30NO5 MW 400.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30NO5/c1-24(2)10-9-16-12-20-22(29-14-28-20)23(27-4)21(16)18(24)13-17(25)11-15-7-5-6-8-19(15)26-3/h5-8,12,17-18,25H,9-11,13-14H2,1-4H3/q+1InChIKey
BZZSAOAUTFSBKG-UHFFFAOYSA-NSynonyms
1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)3(2methoxyphenyl)propan2ol
1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)3(2METHOXYPHENYL)PROPAN2OL
3748732
5(2hydroxy3(2methoxyphenyl)propyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2hydroxy3(2methoxyphenyl)propyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
COc1c2OCOc2cc2c1C(CC(Cc1ccccc1OC)O)(N+)(CC2)(C)C(Br)
InChI=1SC23H30NO5c124(2)10916122022(29142820)23(274)21(16)18(24)1317(25)1115756819(15)263h5812171825H9111314H214H3q+1
ZINC000001317970
ZINC000001317976
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