Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-(2-oxobutyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552984
SMILES CCC(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)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 C17H24NO4 MW 306.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24NO4/c1-5-12(19)9-13-15-11(6-7-18(13,2)3)8-14-16(17(15)20-4)22-10-21-14/h8,13H,5-7,9-10H2,1-4H3/q+1InChIKey
IYLGHADHMXBYGO-UHFFFAOYSA-NSynonyms
1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)butan2one
1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)BUTAN2ONE
4264031
4methoxy66dimethyl5(2oxobutyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(2oxobutyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
CCC(=O)CC1c2c(CC(N+)1(C)C)cc1c(c2OC)OCO1(I)
InChI=1SC17H24NO4c1512(19)9131511(6718(132)3)81416(17(15)204)22102114h813H57910H214H3q+1
ZINC000000487968
ZINC000000487969
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