Vitas-M small molecule compound
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780715
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)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 C26H18ClF3N4O MW 494.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClF3N4O/c27-19-9-8-17(26(28,29)30)13-21(19)34-20-6-3-7-22(35)24(20)23(16-5-4-10-32-15-16)18(14-31)25(34)33-11-1-2-12-33/h1-2,4-5,8-13,15,23H,3,6-7H2InChIKey
NWLURZHAFPMZLC-UHFFFAOYSA-NSynonyms
1(2chloro5(trifluoromethyl)phenyl)5oxo4(pyridin3yl)2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(2chloro5(trifluoromethyl)phenyl)5oxo4pyridin3yl2pyrrol1yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)C1
InChI=1SC26H18ClF3N4Oc27199817(26(2829)30)1321(19)342063722(35)24(20)23(165410321516)18(1431)25(34)3311121233h12458131523H367H2
MFCD06013548
ZINC000001432001
ZINC000001432002
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