Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210419
SMILES COc1cc(ccc1OC)C1C2=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/c1-30-19-12-11-16(13-20(19)31-2)22-21-17(9-6-10-18(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
XFZJHZNMYAZSAP-UHFFFAOYSA-NSynonyms
536981-09-62(benzylsulfanyl)9(34dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(34dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(34dimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536981096
COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5)OC
InChI=1SC24H24N4O3Sc13019121116(1320(19)312)222117(961018(21)29)25232624(2728(22)23)3214157435815h3578111322H691014H212H3(H252627)
MFCD04457015
ZINC000013127008
ZINC000013127010
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