Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363596
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)C(=O)CCC2
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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 C21H24BrNO3S MW 450.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO3S/c1-3-27-12-11-26-21(25)18-13(2)23-16-5-4-6-17(24)20(16)19(18)14-7-9-15(22)10-8-14/h7-10,19,23H,3-6,11-12H2,1-2H3InChIKey
WGUQXBFDKCRWSU-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4bromophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4bromophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Br)C(=O)CCC2)C
InChI=1SC21H24BrNO3Sc132712112621(25)1813(2)231654617(24)20(16)19(18)147915(22)10814h7101923H361112H212H3
MFCD01445698
ZINC000002926220
ZINC000002926223
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