Vitas-M small molecule compound

2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide

Catalog ID
STK826550
SMILES N#CC1=C(SCC(=O)N)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)CCC2

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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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-12(2)13-6-8-14(9-7-13)19-15(10-22)21(27-11-18(23)26)24-16-4-3-5-17(25)20(16)19/h6-9,12,19,24H,3-5,11H2,1-2H3,(H2,23,26)
InChIKey
PNAREPRDGNVVSY-UHFFFAOYSA-N
Synonyms
497228-49-6
2((3cyano4(4isopropylphenyl)5oxo145678hexahydroquinolin2yl)thio)acetamide
2((3cyano5oxo4(4(propan2yl)phenyl)145678hexahydroquinolin2yl)sulfanyl)acetamide
2((3cyano5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
497228496
CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N)C#N
InChI=1SC21H23N3O2Sc112(2)136814(9713)1915(1022)21(271118(23)26)241643517(25)20(16)19h69121924H3511H212H3(H22326)
MFCD03300424
ZINC000002343362
ZINC000002343364

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Available files

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