Vitas-M small molecule compound
5-(2-hydroxy-3-methylbutyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552978
SMILES COc1c2OCOc2cc2c1C(CC(C(C)C)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 C18H28NO4 MW 322.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28NO4/c1-11(2)14(20)9-13-16-12(6-7-19(13,3)4)8-15-17(18(16)21-5)23-10-22-15/h8,11,13-14,20H,6-7,9-10H2,1-5H3/q+1InChIKey
YEKBHHKHHZVRNL-UHFFFAOYSA-NSynonyms
1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)3methylbutan2ol
1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)3METHYLBUTAN2OL
3248925
5(2hydroxy3methylbutyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2hydroxy3methylbutyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(C(C)C)O)(N+)(CC2)(C)C(I)
InChI=1SC18H28NO4c111(2)14(20)9131612(6719(133)4)81517(18(16)215)23102215h811131420H67910H215H3q+1
ZINC000000486950
ZINC000004029676
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