Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK886876
SMILES N#CC1=C(SCc2ccccc2)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 C23H22N2O2S MW 390.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O2S/c1-23(2)11-17-21(18(26)12-23)20(19-9-6-10-27-19)16(13-24)22(25-17)28-14-15-7-4-3-5-8-15/h3-10,20,25H,11-12,14H2,1-2H3InChIKey
LGFZPVCDWVGHHV-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)4(furan2yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2benzylsulfanyl4(furan2yl)77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)C1)C
InChI=1SC23H22N2O2Sc123(2)111721(18(26)1223)20(1996102719)16(1324)22(2517)2814157435815h3102025H111214H212H3
MFCD10087503
ZINC000012250634
ZINC000012250635
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