Vitas-M small molecule compound

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

Catalog ID
STK841442
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(cc1)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 C26H25N3O2S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O2S/c1-16-6-10-18(11-7-16)24-20(14-27)26(29-21-4-3-5-22(30)25(21)24)32-15-23(31)28-19-12-8-17(2)9-13-19/h6-13,24,29H,3-5,15H2,1-2H3,(H,28,31)
InChIKey
YLBSAHZBGGPBMX-UHFFFAOYSA-N
Synonyms
488796-52-7
2((3cyano4(4methylphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
2((3cyano4(4methylphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
2((3cyano5oxo4(ptolyl)145678hexahydroquinolin2yl)thio)N(ptolyl)acetamide
488796527
CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)C)C#N
InChI=1SC26H25N3O2Sc11661018(11716)2420(1427)26(292143522(30)25(21)24)321523(31)281912817(2)91319h6132429H3515H212H3(H2831)
MFCD03292876
ZINC000002342538
ZINC000002342540

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Available files

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