Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK673261
SMILES N#CC1=C(N)N(c2cc(ccc2Cl)C(F)(F)F)C2=C(C1c1ccc(s1)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 C21H14BrClF3N3OS MW 528.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrClF3N3OS/c22-17-7-6-16(31-17)18-11(9-27)20(28)29(13-2-1-3-15(30)19(13)18)14-8-10(21(24,25)26)4-5-12(14)23/h4-8,18H,1-3,28H2InChIKey
KULIZWRVNWVRMA-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)1(2chloro5(trifluoromethyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5bromothiophen2yl)1(2chloro5(trifluoromethyl)phenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC=C(S4)Br)C(=O)C1
InChI=1SC21H14BrClF3N3OSc22177616(3117)1811(927)20(28)29(1321315(30)19(13)18)14810(21(2425)26)4512(14)23h4818H1328H2
MFCD01113615
ZINC000000713519
ZINC000000713521
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