Vitas-M small molecule compound
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780716
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc(s1)C)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 C26H19ClF3N3OS MW 513.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClF3N3OS/c1-15-7-10-22(35-15)23-17(14-31)25(32-11-2-3-12-32)33(19-5-4-6-21(34)24(19)23)20-13-16(26(28,29)30)8-9-18(20)27/h2-3,7-13,23H,4-6H2,1H3InChIKey
ZJHSNFVUTUVFBK-UHFFFAOYSA-NSynonyms
1(2chloro5(trifluoromethyl)phenyl)4(5methylthiophen2yl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(2chloro5(trifluoromethyl)phenyl)4(5methylthiophen2yl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)C(F)(F)F)Cl)N5C=CC=C5)C#N
InChI=1SC26H19ClF3N3OSc11571022(3515)2317(1431)25(3211231232)33(1954621(34)24(19)23)201316(26(2829)30)8918(20)27h2371323H46H21H3
MFCD06013549
ZINC000012462529
ZINC000012462530
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