Vitas-M small molecule compound
2-(benzylsulfanyl)-6,6-dimethyl-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210442
SMILES O=C1CC(C)(C)CC2=C1C(c1cccnc1)n1c(N2)nc(n1)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 C23H23N5OS MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5OS/c1-23(2)11-17-19(18(29)12-23)20(16-9-6-10-24-13-16)28-21(25-17)26-22(27-28)30-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3,(H,25,26,27)InChIKey
UHHOOTIRQWPVMK-UHFFFAOYSA-NSynonyms
536984-95-92(benzylsulfanyl)66dimethyl9(pyridin3yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)66dimethyl9(pyridin3yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl66dimethyl9pyridin3yl1579tetrahydro(124)triazolo(51b)quinazolin8one
536984959
CC1(CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC23H23N5OSc123(2)111719(18(29)1223)20(169610241316)2821(2517)2622(2728)3014157435815h3101320H111214H212H3(H252627)
MFCD04457059
ZINC000004747159
ZINC000004747161
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