Vitas-M small molecule compound

2-(2-hydroxy-3-phenoxypropyl)-6,7-dimethoxy-3,3-dimethyl-2,3-dihydroisoquinolin-4(1H)-one

Catalog ID
STL565207
SMILES COc1cc2CN(CC(COc3ccccc3)O)C(C(=O)c2cc1OC)(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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-22(2)21(25)18-11-20(27-4)19(26-3)10-15(18)12-23(22)13-16(24)14-28-17-8-6-5-7-9-17/h5-11,16,24H,12-14H2,1-4H3
InChIKey
RQMNZRBFBWCSRM-UHFFFAOYSA-N
Synonyms

2(2hydroxy3phenoxypropyl)67dimethoxy33dimethyl1Hisoquinolin4one
2(2hydroxy3phenoxypropyl)67dimethoxy33dimethyl23dihydroisoquinolin4(1H)one
2(2hydroxy3phenoxypropyl)67dimethoxy33dimethyl23dihydroisoquinolin4(1H)onehydrochloride
4979209
COc1cc2CN(CC(COc3ccccc3)O)C(C(=O)c2cc1OC)(C)CCl
InChI=1SC22H27NO5c122(2)21(25)181120(274)19(263)1015(18)1223(22)1316(24)1428178657917h5111624H1214H214H3
MFCD00358051
ZINC000055525037
ZINC000055525039

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Available files

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