Vitas-M small molecule compound
(3E)-4-(furan-2-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
Catalog ID
STL526967
SMILES COc1c2c(CCN(C2CC(=O)/C=C/c2ccco2)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 C20H21NO5 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5/c1-21-8-7-13-10-17-19(26-12-25-17)20(23-2)18(13)16(21)11-14(22)5-6-15-4-3-9-24-15/h3-6,9-10,16H,7-8,11-12H2,1-2H3/b6-5+InChIKey
MJHXWNKZSIZNGU-AATRIKPKSA-NSynonyms
370584-86-4(~(E))4(furan2yl)1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)but3en2one
(3E)4(furan2yl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)but3en2one
(E)4(furan2yl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)but3en2one
(E)4(FURAN2YL)1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)BUT3EN2ONE
370584864
6104679
COc1c2c(CCN(C2CC(=O)C=Cc2ccco2)C)cc2c1OCO2
InChI=1SC20H21NO5c1218713101719(26122517)20(232)18(13)16(21)1114(22)56154392415h3691016H781112H212H3b65+
MFCD03006262
ZINC000020112851
ZINC000020112854
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