Vitas-M small molecule compound
5-[3-(2,4-dichlorophenoxy)prop-1-yn-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Catalog ID
STL546197
SMILES COc1c2c(CCN(C2C#CCOc2ccc(cc2Cl)Cl)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 C21H19Cl2NO4 MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2NO4/c1-24-8-7-13-10-18-20(28-12-27-18)21(25-2)19(13)16(24)4-3-9-26-17-6-5-14(22)11-15(17)23/h5-6,10-11,16H,7-9,12H2,1-2H3InChIKey
MCOIXNDOBXKQAW-UHFFFAOYSA-NSynonyms
3773319
5(3(24dichlorophenoxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(3(24dichlorophenoxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolinehydrochloride
5(3(24dichlorophenoxy)prop1ynyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinoline
5(3(24DICHLOROPHENOXY)PROP1YNYL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLINE
COc1c2c(CCN(C2C#CCOc2ccc(cc2Cl)Cl)C)cc2c1OCO2Cl
InChI=1SC21H19Cl2NO4c1248713101820(28122718)21(252)19(13)16(24)43926176514(22)1115(17)23h56101116H7912H212H3
MFCD02924873
ZINC000020411244
ZINC000020411247
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