Vitas-M small molecule compound

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

Catalog ID
STL527519
SMILES COc1cc(C)c(c(c1C)C)CCC(C#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)(O)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 C28H35NO5 MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO5/c1-17-14-23(31-6)19(3)18(2)21(17)8-11-28(4,30)12-9-22-25-20(10-13-29(22)5)15-24-26(27(25)32-7)34-16-33-24/h14-15,22,30H,8,10-11,13,16H2,1-7H3
InChIKey
NVEGRGPHFDIFQK-UHFFFAOYSA-N
Synonyms

(3R)5(4methoxy236trimethylphenyl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)3methylpent1yn3olhydrochloride
1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)5(4methoxy236trimethylphenyl)3methylpent1yn3ol
1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)5(4methoxy236trimethylphenyl)3methylpent1yn3ol
1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)5(4METHOXY236TRIMETHYLPHENYL)3METHYLPENT1YN3OL
3764886
COc1cc(C)c(c(c1C)C)CCC(C#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)(O)CCl
InChI=1SC28H35NO5c1171423(316)19(3)18(2)21(17)81128(430)129222520(101329(22)5)152426(27(25)327)34163324h14152230H810111316H217H3
MFCD03660103
ZINC000020113860
ZINC000020113868

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Available files

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