Vitas-M small molecule compound

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

Catalog ID
STL552921
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1cc3c(cc1C)C(C)(C)C(CC3(C)C)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 C31H42NO4 MW 492.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42NO4/c1-18-12-23-22(30(3,4)16-19(2)31(23,5)6)14-21(18)25(33)15-24-27-20(10-11-32(24,7)8)13-26-28(29(27)34-9)36-17-35-26/h12-14,19,24H,10-11,15-17H2,1-9H3/q+1
InChIKey
LGRJPKHZNMLPAF-UHFFFAOYSA-N
Synonyms

1(355688hexamethyl67dihydronaphthalen2yl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
3815004
5(2(355688hexamethyl5678tetrahydronaphthalen2yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(355688hexamethyl5678tetrahydronaphthalen2yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1cc3c(cc1C)C(C)(C)C(CC3(C)C)C)(N+)(CC2)(C)C(I)
InChI=1SC31H42NO4c118122322(30(34)1619(2)31(235)6)1421(18)25(33)15242720(101132(247)8)132628(29(27)349)36173526h12141924H10111517H219H3q+1
ZINC000001815969
ZINC000001815972

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Available files

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