Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217466
SMILES O=C1CCCC2=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 C21H19N5OS MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5OS/c27-17-10-4-9-16-18(17)19(15-8-5-11-22-12-15)26-20(23-16)24-21(25-26)28-13-14-6-2-1-3-7-14/h1-3,5-8,11-12,19H,4,9-10,13H2,(H,23,24,25)InChIKey
NRYYFPRTGMLJRM-UHFFFAOYSA-NSynonyms
536981-18-72(benzylsulfanyl)9(pyridin3yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(pyridin3yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9pyridin3yl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536981187
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CN=CC=C5)C(=O)C1
InChI=1SC21H19N5OSc271710491618(17)19(158511221215)2620(2316)2421(2526)2813146213714h1358111219H491013H2(H232425)
MFCD04457017
ZINC000004194204
ZINC000004194205
ZINC04194204
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