Vitas-M small molecule compound
2-{[3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STK885869
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccco1)C(=O)CC(C2)(C)C
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-15-6-8-16(9-7-15)27-21(30)14-32-24-17(13-26)22(20-5-4-10-31-20)23-18(28-24)11-25(2,3)12-19(23)29/h4-10,22,28H,11-12,14H2,1-3H3,(H,27,30)InChIKey
FRVRHOKSNXPNNP-UHFFFAOYSA-NSynonyms
2((3cyano4(furan2yl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
2((3cyano4(furan2yl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CO4)C#N
InChI=1SC25H25N3O3Sc1156816(9715)2721(30)14322417(1326)22(2054103120)2318(2824)1125(23)1219(23)29h4102228H111214H213H3(H2730)
MFCD04219558
ZINC000002849484
ZINC000004645588
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