Vitas-M small molecule compound
ethyl 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK678936
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CCC2)c1ccc(cc1)S(=O)(=O)N
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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 C22H22BrN3O5S2 MW 552.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O5S2/c1-2-31-22(28)20-19(17-10-12(23)11-32-17)18-15(4-3-5-16(18)27)26(21(20)24)13-6-8-14(9-7-13)33(25,29)30/h6-11,19H,2-5,24H2,1H3,(H2,25,29,30)InChIKey
CIKRGOROFDLZGK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC(=CS3)Br)C(=O)CCC2)C4=CC=C(C=C4)S(=O)(=O)N)N
ethyl2amino4(4bromothiophen2yl)5oxo1(4sulfamoylphenyl)145678hexahydroquinoline3carboxylate
ethyl2amino4(4bromothiophen2yl)5oxo1(4sulfamoylphenyl)4678tetrahydroquinoline3carboxylate
InChI=1SC22H22BrN3O5S2c123122(28)2019(171012(23)113217)1815(43516(18)27)26(21(20)24)136814(9713)33(2529)30h61119H2524H21H3(H2252930)
MFCD03308171
ZINC000003619661
ZINC000003619664
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