Vitas-M small molecule compound
(2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(1-methyl-1H-pyrrol-2-yl)prop-2-en-1-one
Catalog ID
STL513657
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)C(=O)/C=C/c1cccn1C
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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 C20H22N2O4 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4/c1-21-10-8-14-15(11-21)18(24-3)20-19(25-12-26-20)17(14)16(23)7-6-13-5-4-9-22(13)2/h4-7,9H,8,10-12H2,1-3H3/b7-6+InChIKey
LAQCMTRFWGAUTH-VOTSOKGWSA-NSynonyms
370584-95-5(~(E))1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)3(1methylpyrrol2yl)prop2en1one
(2E)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)3(1methyl1Hpyrrol2yl)prop2en1one
(E)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)3(1methyl1Hpyrrol2yl)prop2en1one
(E)1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN9YL)3(1METHYLPYRROL2YL)PROP2EN1ONE
370584955
5901022
COc1c2CN(C)CCc2c(c2c1OCO2)C(=O)C=Cc1cccn1C
InChI=1SC20H22N2O4c1211081415(1121)18(243)2019(25122620)17(14)16(23)761354922(13)2h479H81012H213H3b76+
MFCD03006286
ZINC000020112876
ZINC20112876
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