Vitas-M small molecule compound
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780703
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cscc1)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 C25H17ClF3N3OS MW 499.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClF3N3OS/c26-18-7-6-16(25(27,28)29)12-20(18)32-19-4-3-5-21(33)23(19)22(15-8-11-34-14-15)17(13-30)24(32)31-9-1-2-10-31/h1-2,6-12,14,22H,3-5H2InChIKey
MICTWXWCGSEBLU-UHFFFAOYSA-NSynonyms
1(2chloro5(trifluoromethyl)phenyl)5oxo2(1Hpyrrol1yl)4(thiophen3yl)145678hexahydroquinoline3carbonitrile
1(2chloro5(trifluoromethyl)phenyl)5oxo2pyrrol1yl4thiophen3yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N4C=CC=C4)C#N)C5=CSC=C5)C(=O)C1
InChI=1SC25H17ClF3N3OSc26187616(25(2728)29)1220(18)321943521(33)23(19)22(15811341415)17(1330)24(32)319121031h126121422H35H2
MFCD06013530
ZINC000001431978
ZINC000001431979
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