Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-[(4-methoxy-6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]prop-2-enamide
Catalog ID
STL523576
SMILES COc1c2C(=O)N(C)CCc2c(c2c1OCO2)CNC(=O)/C=C/c1ccc2c(c1)OCO2
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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 C23H22N2O7 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7/c1-25-8-7-14-15(20-22(32-12-31-20)21(28-2)19(14)23(25)27)10-24-18(26)6-4-13-3-5-16-17(9-13)30-11-29-16/h3-6,9H,7-8,10-12H2,1-2H3,(H,24,26)/b6-4+InChIKey
PIDABUVBJZXLSY-GQCTYLIASA-NSynonyms
(~(E))3(13benzodioxol5yl)~(N)((4methoxy6methyl5oxo78dihydro(13)dioxolo(45g)isoquinolin9yl)methyl)prop2enamide
(2E)3(13benzodioxol5yl)N((4methoxy6methyl5oxo5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)methyl)prop2enamide
(E)3(benzo(d)(13)dioxol5yl)N((4methoxy6methyl5oxo5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)methyl)acrylamide
127253733
COc1c2C(=O)N(C)CCc2c(c2c1OCO2)CNC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC23H22N2O7c125871415(2022(32123120)21(282)19(14)23(25)27)102418(26)6413351617(913)30112916h369H781012H212H3(H2426)b64+
MFCD31753008
ZINC000604404550
ZINC604404550
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