Vitas-M small molecule compound
ethyl 2-amino-4-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK758175
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)c1ccc(cc1)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 C23H23BrN2O3S MW 487.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O3S/c1-3-29-23(28)21-20(17-11-12-18(24)30-17)19-15(5-4-6-16(19)27)26(22(21)25)14-9-7-13(2)8-10-14/h7-12,20H,3-6,25H2,1-2H3InChIKey
FWOUGKQFENGVEQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)Br)C(=O)CCC2)C4=CC=C(C=C4)C)N
ethyl2amino4(5bromothiophen2yl)1(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2amino4(5bromothiophen2yl)1(4methylphenyl)5oxo4678tetrahydroquinoline3carboxylate
InChI=1SC23H23BrN2O3Sc132923(28)2120(17111218(24)3017)1915(54616(19)27)26(22(21)25)149713(2)81014h71220H3625H212H3
MFCD02109961
ZINC000001060242
ZINC000001060244
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