Vitas-M small molecule compound
ethyl 4-(3-bromophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK780597
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1cccc(c1)Br)c1cccs1
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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 C22H20BrNO4S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO4S/c1-2-28-22(27)20-15(17-7-4-8-29-17)10-16-19(21(20)26)14(11-18(25)24-16)12-5-3-6-13(23)9-12/h3-9,14-15,20H,2,10-11H2,1H3,(H,24,25)InChIKey
OVVLJPZVPOCQAJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC(=CC=C3)Br)C4=CC=CS4
ethyl4(3bromophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(3bromophenyl)25dioxo7thiophen2yl134678hexahydroquinoline6carboxylate
InChI=1SC22H20BrNO4Sc122822(27)2015(177482917)101619(21(20)26)14(1118(25)2416)1253613(23)912h39141520H21011H21H3(H2425)
MFCD06013370
ZINC000001431780
ZINC000014943841
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