Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754901
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)c1cccc(c1)C(F)(F)F
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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 C21H15BrF3N3OS MW 494.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrF3N3OS/c22-17-8-7-16(30-17)18-13(10-26)20(27)28(14-5-2-6-15(29)19(14)18)12-4-1-3-11(9-12)21(23,24)25/h1,3-4,7-9,18H,2,5-6,27H2InChIKey
WOWFPNSQAVDSCP-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(5bromothiophen2yl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=C(S4)Br)C(=O)C1
InChI=1SC21H15BrF3N3OSc22178716(3017)1813(1026)20(27)28(1452615(29)19(14)18)1241311(912)21(2324)25h1347918H25627H2
MFCD00826918
ZINC000000713476
ZINC000000713477
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