Vitas-M small molecule compound
6,6-dimethyl-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
STK335691
SMILES O=C1CC(C)(C)CC2=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 C22H22N6OS MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6OS/c1-22(2)10-16-18(17(29)11-22)19(14-6-5-8-23-12-14)28-20(25-16)26-21(27-28)30-13-15-7-3-4-9-24-15/h3-9,12,19H,10-11,13H2,1-2H3,(H,25,26,27)InChIKey
VOYRSNKORNKJEZ-UHFFFAOYSA-NSynonyms
66dimethyl9(pyridin3yl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
66dimethyl9pyridin3yl2(pyridin2ylmethylsulfanyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
CC1(CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC22H22N6OSc122(2)101618(17(29)1122)19(14658231214)2820(2516)2621(2728)30131573492415h391219H101113H212H3(H252627)
MFCD09964181
ZINC000018199790
ZINC000018199792
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