Vitas-M small molecule compound
5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781469
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)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)17-7-1-2-8-18(17)31-19-9-5-10-20(32)23(19)22(21-11-6-14-33-21)16(15-29)24(31)30-12-3-4-13-30/h1-4,6-8,11-14,22H,5,9-10H2InChIKey
ATCAGQRYIVEIBI-UHFFFAOYSA-NSynonyms
5oxo2(1Hpyrrol1yl)4(thiophen2yl)1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
5oxo2pyrrol1yl4thiophen2yl1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N4C=CC=C4)C#N)C5=CC=CS5)C(=O)C1
InChI=1SC25H18F3N3OSc2625(2728)17712818(17)3119951020(32)23(19)22(21116143321)16(1529)24(31)3012341330h1468111422H5910H2
MFCD06015119
ZINC000012375406
ZINC000012375407
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