Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755044
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)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/c22-12-8-17(30-10-12)18-14(9-26)20(27)28(15-5-2-6-16(29)19(15)18)13-4-1-3-11(7-13)21(23,24)25/h1,3-4,7-8,10,18H,2,5-6,27H2InChIKey
ZODNQRNZCCDKSB-UHFFFAOYSA-NSynonyms
339318-76-22amino4(4bromothiophen2yl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4bromothiophen2yl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
339318762
C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC(=CS4)Br)C(=O)C1
InChI=1SC21H15BrF3N3OSc2212817(301012)1814(926)20(27)28(1552616(29)19(15)18)1341311(713)21(2324)25h134781018H25627H2
MFCD00827214
ZINC000000705639
ZINC000000705640
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