Vitas-M small molecule compound
9-(pyridin-3-yl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335334
SMILES O=C1CCCC2=C1C(c1cccnc1)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/c27-16-8-3-7-15-17(16)18(13-5-4-9-21-11-13)26-19(23-15)24-20(25-26)28-12-14-6-1-2-10-22-14/h1-2,4-6,9-11,18H,3,7-8,12H2,(H,23,24,25)InChIKey
ONOSWRXZEZOENN-UHFFFAOYSA-NSynonyms
9(pyridin3yl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9pyridin3yl2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=CN=CC=C5)C(=O)C1
InChI=1SC20H18N6OSc27168371517(16)18(13549211113)2619(2315)2420(2526)281214612102214h124691118H37812H2(H232425)
MFCD09798911
ZINC000012349842
ZINC000012349847
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