Vitas-M small molecule compound
9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK327847
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2cccs2)ncn1
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-28-16-9-13(10-17(29-2)21(16)30-3)12-7-14-19(15(27)8-12)20(18-5-4-6-31-18)26-22(25-14)23-11-24-26/h4-6,9-12,20H,7-8H2,1-3H3,(H,23,24,25)InChIKey
IUBOYJSCBYLWRE-UHFFFAOYSA-NSynonyms
727394-58-3727394583
9(thiophen2yl)6(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9thiophen2yl6(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=CS5)C(=O)C2
InChI=1SC22H22N4O4Sc12816913(1017(292)21(16)303)1271419(15(27)812)20(185463118)2622(2514)23112426h4691220H78H213H3(H232425)
MFCD06192934
ZINC000013122110
ZINC000018190783
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