Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217465
SMILES O=C1CCCC2=C1C(c1sccc1C)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 C21H20N4OS2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS2/c1-13-10-11-27-19(13)18-17-15(8-5-9-16(17)26)22-20-23-21(24-25(18)20)28-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,22,23,24)InChIKey
UCIGAISAVBMGDI-UHFFFAOYSA-NSynonyms
727402-48-42(benzylsulfanyl)9(3methylthiophen2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(3methylthiophen2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(3methylthiophen2yl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727402484
CC1=C(SC=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5
InChI=1SC21H20N4OS2c11310112719(13)181715(85916(17)26)22202321(2425(18)20)2812146324714h2467101118H58912H21H3(H222324)
MFCD06193113
ZINC000004436241
ZINC000004436246
ZINC04436246
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