Vitas-M small molecule compound

2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone

Catalog ID
STL548327
SMILES COc1c2c(CCN(C2CC(=O)C2(C)CC3=C(CC2C)CCCC3(C)C)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 C28H39NO4 MW 453.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO4/c1-17-12-18-8-7-10-27(2,3)20(18)15-28(17,4)23(30)14-21-24-19(9-11-29(21)5)13-22-25(26(24)31-6)33-16-32-22/h13,17,21H,7-12,14-16H2,1-6H3
InChIKey
NHRVEPPXQUAVEI-UHFFFAOYSA-N
Synonyms
1005116-66-4
1005116664
2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(2388tetramethyl12345678octahydronaphthalen2yl)ethanone
2(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)1(2388tetramethyl134567hexahydronaphthalen2yl)ethanone
3473766
InChI=1SC28H39NO4c1171218871027(23)20(18)1528(174)23(30)14212419(91129(21)5)132225(26(24)316)33163222h131721H7121416H216H3
MFCD02115717
ZINC000012861099
ZINC000100757893

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Available files

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