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-fluorophenyl)acetamide
Catalog ID
STK885683
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)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 C25H22FN3O2S MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O2S/c1-15-5-7-16(8-6-15)23-19(13-27)25(29-20-3-2-4-21(30)24(20)23)32-14-22(31)28-18-11-9-17(26)10-12-18/h5-12,23,29H,2-4,14H2,1H3,(H,28,31)InChIKey
YBKCRGIVIGQICX-UHFFFAOYSA-NSynonyms
889774-77-02((3cyano4(4methylphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
2((3cyano4(4methylphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
889774770
CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)F)C#N
InChI=1SC25H22FN3O2Sc1155716(8615)2319(1327)25(292032421(30)24(20)23)321422(31)281811917(26)101218h5122329H2414H21H3(H2831)
MFCD07654609
ZINC000020347490
ZINC000020347492
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