Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210422
SMILES COc1cc(OC)ccc1C1C2=C(CCCC2=O)Nc2n1nc(n2)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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-30-16-11-12-17(20(13-16)31-2)22-21-18(9-6-10-19(21)29)25-23-26-24(27-28(22)23)32-14-15-7-4-3-5-8-15/h3-5,7-8,11-13,22H,6,9-10,14H2,1-2H3,(H,25,26,27)InChIKey
NIFLZFJAWWQFIY-UHFFFAOYSA-NSynonyms
727402-39-32(benzylsulfanyl)9(24dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(24dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(24dimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727402393
COC1=CC(=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5)OC
InChI=1SC24H24N4O3Sc13016111217(20(1316)312)222118(961019(21)29)25232624(2728(22)23)3214157435815h3578111322H691014H212H3(H252627)
MFCD06193103
ZINC000006924578
ZINC000006924591
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