Vitas-M small molecule compound
N-benzyl-2-{[3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK826484
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)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/c1-25(2)11-18-23(19(29)12-25)22(20-9-6-10-31-20)17(13-26)24(28-18)32-15-21(30)27-14-16-7-4-3-5-8-16/h3-10,22,28H,11-12,14-15H2,1-2H3,(H,27,30)InChIKey
CKCJCBYTQJDLJC-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)C1)C
InChI=1SC25H25N3O3Sc125(2)111823(19(29)1225)22(2096103120)17(1326)24(2818)321521(30)2714167435816h3102228H11121415H212H3(H2730)
MFCD04219088
Nbenzyl2((3cyano4(furan2yl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
Nbenzyl2((3cyano4(furan2yl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000012250228
ZINC000012250229
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