Vitas-M small molecule compound
N'-[(13E)-9-methoxy-3,3-dimethyl-1-oxo-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino[2,1-a]quinolin-13-ylidene]-4-methylbenzenesulfonohydrazide
Catalog ID
STL546382
SMILES COc1ccc2c(c1)CCN1C2C/C(=N\NS(=O)(=O)c2ccc(cc2)C)/C2=C1CC(CC2=O)(C)C
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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 C27H31N3O4S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S/c1-17-5-8-20(9-6-17)35(32,33)29-28-22-14-23-21-10-7-19(34-4)13-18(21)11-12-30(23)24-15-27(2,3)16-25(31)26(22)24/h5-10,13,23,29H,11-12,14-16H2,1-4H3/b28-22+InChIKey
PNHOUSZTBDOSSE-XAYXJRQQSA-NSynonyms
(E)N(9methoxy33dimethyl1oxo346711b12hexahydro1Hisoquinolino(21a)quinolin13(2H)ylidene)4methylbenzenesulfonohydrazide
~(N)((~(E))(9methoxy33dimethyl1oxo246711~(b)12hexahydroisoquinolino(21a)quinolin13ylidene)amino)4methylbenzenesulfonamide
9635333
COc1ccc2c(c1)CCN1C2CC(=NNS(=O)(=O)c2ccc(cc2)C)C2=C1CC(CC2=O)(C)C
InChI=1SC27H31N3O4Sc1175820(9617)35(3233)29282214232110719(344)1318(21)111230(23)241527(23)1625(31)26(22)24h510132329H11121416H214H3b2822+
MFCD01545104
N((13E)9methoxy33dimethyl1oxo12346711b12octahydro13Hisoquino(21a)quinolin13ylidene)4methylbenzenesulfonohydrazide
ZINC000008917837
ZINC000008917838
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