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-(4-methylcyclohex-3-en-1-yl)ethanone
Catalog ID
STL562494
SMILES COc1c2c(CCN(C2CC(=O)C2CCC(=CC2)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 C21H27NO4 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4/c1-13-4-6-14(7-5-13)17(23)11-16-19-15(8-9-22(16)2)10-18-20(21(19)24-3)26-12-25-18/h4,10,14,16H,5-9,11-12H2,1-3H3InChIKey
XPECFPNIEZESQR-UHFFFAOYSA-NSynonyms
376379-13-42(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(4methylcyclohex3en1yl)ethanone
2(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)1(4methylcyclohex3en1yl)ethanone
376379134
3804977
InChI=1SC21H27NO4c1134614(7513)17(23)11161915(8922(16)2)101820(21(19)243)26122518h4101416H591112H213H3
MFCD02115530
ZINC000020111875
ZINC000035882691
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