Vitas-M small molecule compound
(2E)-N-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)prop-2-enamide
Catalog ID
STL565821
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)NC(=O)/C=C/c1cc2cccc3c2n(c1=O)CCC3
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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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-29-12-10-19-20(14-29)24(33-2)26-25(34-15-35-26)22(19)28-21(31)9-8-18-13-17-6-3-5-16-7-4-11-30(23(16)17)27(18)32/h3,5-6,8-9,13H,4,7,10-12,14-15H2,1-2H3,(H,28,31)/b9-8+InChIKey
HYDCXFBVEMHLNG-CMDGGOBGSA-NSynonyms
1144438-41-4(2E)N(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)3(5oxo23dihydro1H5Hpyrido(321ij)quinolin6yl)prop2enamide
(E)N(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)3(3oxo3567tetrahydropyrido(321ij)quinolin2yl)acrylamide
(E)N(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin9yl)3(2oxo1azatricyclo(7310513)trideca35(13)68tetraen3yl)prop2enamide
1144438414
39377693
COc1c2CN(C)CCc2c(c2c1OCO2)NC(=O)C=Cc1cc2cccc3c2n(c1=O)CCC3
InChI=1SC27H27N3O5c12912101920(1429)24(332)2625(34153526)22(19)2821(31)9818131763516741130(23(16)17)27(18)32h3568913H4710121415H212H3(H2831)b98+
MFCD12030064
ZINC000032123954
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