Vitas-M small molecule compound
9,9'-benzene-1,4-diylbis{2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one}
Catalog ID
STK335381
SMILES O=C1CCCC2=C1C(c1ccc(cc1)C1C3=C(CCCC3=O)Nc3n1nc(n3)SCc1ccccn1)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 C36H32N10O2S2 MW 700.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N10O2S2/c47-27-11-5-9-25-29(27)31(45-33(39-25)41-35(43-45)49-19-23-7-1-3-17-37-23)21-13-15-22(16-14-21)32-30-26(10-6-12-28(30)48)40-34-42-36(44-46(32)34)50-20-24-8-2-4-18-38-24/h1-4,7-8,13-18,31-32H,5-6,9-12,19-20H2,(H,39,41,43)(H,40,42,44)InChIKey
FSQVOXRCRWAEJV-UHFFFAOYSA-NSynonyms
9(4(8oxo2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)phenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
99benzene14diylbis(2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one)
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=CC=C(C=C5)C6C7=C(CCCC7=O)N=C8N6NC(=N8)SCC9=CC=CC=N9)C(=O)C1
InChI=1SC36H32N10O2S2c472711592529(27)31(4533(3925)4135(4345)491923713173723)21131522(161421)323026(1061228(30)48)40344236(4446(32)34)502024824183824h147813183132H569121920H2(H394143)(H404244)
MFCD09963960
ZINC000150388992
ZINC000150388996
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