Vitas-M small molecule compound
9-(pyridin-4-yl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335411
SMILES O=C1CCCC2=C1C(c1ccncc1)n1c(N2)nc(n1)SCc1ccccn1
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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 C20H18N6OS MW 390.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6OS/c27-16-6-3-5-15-17(16)18(13-7-10-21-11-8-13)26-19(23-15)24-20(25-26)28-12-14-4-1-2-9-22-14/h1-2,4,7-11,18H,3,5-6,12H2,(H,23,24,25)InChIKey
JIEBUYZANCZJSB-UHFFFAOYSA-NSynonyms
9(pyridin4yl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9pyridin4yl2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=CC=NC=C5)C(=O)C1
InChI=1SC20H18N6OSc27166351517(16)18(137102111813)2619(2315)2420(2526)28121441292214h12471118H35612H2(H232425)
MFCD09798918
ZINC000018198888
ZINC000018198890
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