Vitas-M small molecule compound
1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Catalog ID
STL526464
SMILES COc1c2c(CCN(C2CC(=O)c2ccc(s2)C#CC(O)(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 C23H25NO5S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S/c1-23(2,26)9-7-15-5-6-19(30-15)17(25)12-16-20-14(8-10-24(16)3)11-18-21(22(20)27-4)29-13-28-18/h5-6,11,16,26H,8,10,12-13H2,1-4H3InChIKey
IXXMKPUQHAWBNS-UHFFFAOYSA-NSynonyms
376379-47-41(5(3hydroxy3methylbut1yn1yl)thiophen2yl)2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)ethanone
1(5(3hydroxy3methylbut1ynyl)thiophen2yl)2(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)ethanone
1(5(3HYDROXY3METHYLBUT1YNYL)THIOPHEN2YL)2(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)ETHANONE
3649440
376379474
InChI=1SC23H25NO5Sc123(226)97155619(3015)17(25)12162014(81024(16)3)111821(22(20)274)29132818h56111626H8101213H214H3
MFCD02115575
ZINC000020111883
ZINC000020111885
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