Vitas-M small molecule compound
9-(2,5-dimethoxyphenyl)-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK334824
SMILES COc1ccc(c(c1)C1C2=C(CC(CC2=O)c2cccs2)Nc2n1ncn2)OC
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-27-13-5-6-17(28-2)14(10-13)20-19-15(24-21-22-11-23-25(20)21)8-12(9-16(19)26)18-4-3-7-29-18/h3-7,10-12,20H,8-9H2,1-2H3,(H,22,23,24)InChIKey
GTXVLWKXBVIJPX-UHFFFAOYSA-NSynonyms
9(25dimethoxyphenyl)6(thiophen2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(25dimethoxyphenyl)6thiophen2yl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=CC(=C(C=C1)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)N=C5N2NC=N5
InChI=1SC21H20N4O3Sc127135617(282)14(1013)201915(242122112325(20)21)812(916(19)26)184372918h37101220H89H212H3(H222324)
MFCD09963673
ZINC000018197650
ZINC000018197655
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