Vitas-M small molecule compound
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755532
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CCC2)c1cc(ccc1Cl)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 C21H15ClF3N3OS MW 449.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClF3N3OS/c22-14-5-4-12(21(23,24)25)8-16(14)28-15-2-1-3-17(29)19(15)18(11-6-7-30-10-11)13(9-26)20(28)27/h4-8,10,18H,1-3,27H2InChIKey
ICHDACKLAHDOHO-UHFFFAOYSA-NSynonyms
2amino1(2chloro5(trifluoromethyl)phenyl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2amino1(2chloro5(trifluoromethyl)phenyl)5oxo4thiophen3yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CSC=C4)C(=O)C1
InChI=1SC21H15ClF3N3OSc22145412(21(2324)25)816(14)281521317(29)19(15)18(1167301011)13(926)20(28)27h481018H1327H2
MFCD00828360
ZINC000001436377
ZINC000001436378
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