Vitas-M small molecule compound

5-(2-hydroxypropyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL552918
SMILES COc1c2OCOc2cc2c1C(CC(O)C)[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 C16H24NO4 MW 294.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24NO4/c1-10(18)7-12-14-11(5-6-17(12,2)3)8-13-15(16(14)19-4)21-9-20-13/h8,10,12,18H,5-7,9H2,1-4H3/q+1
InChIKey
JDHJUNPYLKPCMG-UHFFFAOYSA-N
Synonyms

1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)propan2ol
1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)PROPAN2OL
3369546
5(2hydroxypropyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2hydroxypropyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(O)C)(N+)(CC2)(C)C(I)
InChI=1SC16H24NO4c110(18)7121411(5617(122)3)81315(16(14)194)2192013h8101218H579H214H3q+1
ZINC000000485787
ZINC000000485790

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Available files

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