Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210414
SMILES Oc1cccc(c1)C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1ccccc1
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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 C22H20N4O2S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S/c27-16-9-4-8-15(12-16)20-19-17(10-5-11-18(19)28)23-21-24-22(25-26(20)21)29-13-14-6-2-1-3-7-14/h1-4,6-9,12,20,27H,5,10-11,13H2,(H,23,24,25)InChIKey
YYHBUJFTJALQQU-UHFFFAOYSA-NSynonyms
536981-04-12(benzylsulfanyl)9(3hydroxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(3hydroxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(3hydroxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536981041
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)O)C(=O)C1
InChI=1SC22H20N4O2Sc271694815(1216)201917(1051118(19)28)23212422(2526(20)21)2913146213714h1469122027H5101113H2(H232425)
MFCD06193088
ZINC000004777007
ZINC000004777008
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