Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826855
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Br)NC2=C(C1c1ccco1)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 C22H17BrN2O3S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN2O3S/c23-14-8-6-13(7-9-14)18(27)12-29-22-15(11-24)20(19-5-2-10-28-19)21-16(25-22)3-1-4-17(21)26/h2,5-10,20,25H,1,3-4,12H2InChIKey
IVQYMRAIZWGNPQ-UHFFFAOYSA-NSynonyms
799782-04-02((2(4bromophenyl)2oxoethyl)sulfanyl)4(furan2yl)5oxo145678hexahydroquinoline3carbonitrile
2((2(4bromophenyl)2oxoethyl)thio)4(furan2yl)5oxo145678hexahydroquinoline3carbonitrile
2(2(4bromophenyl)2oxoethyl)sulfanyl4(furan2yl)5oxo4678tetrahydro1Hquinoline3carbonitrile
799782040
C1CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)Br)C#N)C4=CC=CO4)C(=O)C1
InChI=1SC22H17BrN2O3Sc23148613(7914)18(27)12292215(1124)20(1952102819)2116(2522)31417(21)26h25102025H13412H2
MFCD03674327
ZINC000002212464
ZINC000002212468
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