Vitas-M small molecule compound
2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768847
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(c(c1)Cl)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 C22H19Cl2N3OS MW 444.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2N3OS/c1-22(2)9-16-20(17(28)10-22)19(18-4-3-7-29-18)13(11-25)21(26)27(16)12-5-6-14(23)15(24)8-12/h3-8,19H,9-10,26H2,1-2H3InChIKey
IRGAHCZIJTYLNL-UHFFFAOYSA-NSynonyms
2amino1(34dichlorophenyl)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2AMINO1(34DICHLOROPHENYL)77DIMETHYL5OXO4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=C(C=C3)Cl)Cl)N)C#N)C4=CC=CS4)C(=O)C1)C
InChI=1SC22H19Cl2N3OSc122(2)91620(17(28)1022)19(184372918)13(1125)21(26)27(16)125614(23)15(24)812h3819H91026H212H3
MFCD03308198
ZINC000000707326
ZINC000000707327
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