Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754905
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CCC2)c1cccc(c1C)Cl
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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 C21H18ClN3OS MW 395.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3OS/c1-12-14(22)5-2-6-15(12)25-16-7-3-8-17(26)20(16)19(13(11-23)21(25)24)18-9-4-10-27-18/h2,4-6,9-10,19H,3,7-8,24H2,1H3InChIKey
GMRYVSFZLVLVFN-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2amino1(3chloro2methylphenyl)5oxo4thiophen2yl4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=CS4)C(=O)CCC3
InChI=1SC21H18ClN3OSc11214(22)52615(12)251673817(26)20(16)19(13(1123)21(25)24)1894102718h24691019H37824H21H3
MFCD00826923
ZINC000001436317
ZINC000001436318
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