Vitas-M small molecule compound
2-amino-5-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755397
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)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 C21H16F3N3OS MW 415.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N3OS/c22-21(23,24)12-4-1-5-13(10-12)27-15-6-2-7-16(28)19(15)18(14(11-25)20(27)26)17-8-3-9-29-17/h1,3-5,8-10,18H,2,6-7,26H2InChIKey
BYLJRSSQAMQTCB-UHFFFAOYSA-NSynonyms
2amino5oxo4(thiophen2yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino5oxo4thiophen2yl1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=CS4)C(=O)C1
InChI=1SC21H16F3N3OSc2221(2324)1241513(1012)271562716(28)19(15)18(14(1125)20(27)26)178392917h13581018H26726H2
MFCD00827938
ZINC000000705629
ZINC000000705630
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