Vitas-M small molecule compound
5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780704
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccsc1)C(=O)CCC2)c1ccccc1C(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 C25H18F3N3OS MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F3N3OS/c26-25(27,28)18-6-1-2-7-19(18)31-20-8-5-9-21(32)23(20)22(16-10-13-33-15-16)17(14-29)24(31)30-11-3-4-12-30/h1-4,6-7,10-13,15,22H,5,8-9H2InChIKey
UEMOHQNXCHZADC-UHFFFAOYSA-NSynonyms
5oxo2(1Hpyrrol1yl)4(thiophen3yl)1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
5oxo2pyrrol1yl4thiophen3yl1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N4C=CC=C4)C#N)C5=CSC=C5)C(=O)C1
InChI=1SC25H18F3N3OSc2625(2728)18612719(18)312085921(32)23(20)22(161013331516)17(1429)24(31)3011341230h146710131522H589H2
MFCD06013531
ZINC000001431980
ZINC000001431981
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