Vitas-M small molecule compound

1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-(3-methoxyphenyl)propan-2-ol

Catalog ID
STL562666
SMILES COc1c2c(CCN(C2CC(Cc2cccc(c2)OC)O)C)cc2c1OCO2

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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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-23-8-7-15-11-19-21(28-13-27-19)22(26-3)20(15)18(23)12-16(24)9-14-5-4-6-17(10-14)25-2/h4-6,10-11,16,18,24H,7-9,12-13H2,1-3H3
InChIKey
JKROYVBMPNATCP-UHFFFAOYSA-N
Synonyms
858739-43-2
1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)3(3methoxyphenyl)propan2ol
1(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)3(3methoxyphenyl)propan2ol
3779264
858739432
InChI=1SC22H27NO5c1238715111921(28132719)22(263)20(15)18(23)1216(24)91454617(1014)252h461011161824H791213H213H3
MFCD03266897
ZINC000004029995
ZINC000012661016

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.