Vitas-M small molecule compound
9-[4-(benzyloxy)-3-methoxyphenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK333333
SMILES COc1cc(ccc1OCc1ccccc1)C1C2=C(CCCC2=O)Nc2n1ncn2
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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 C23H22N4O3 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3/c1-29-20-12-16(10-11-19(20)30-13-15-6-3-2-4-7-15)22-21-17(8-5-9-18(21)28)26-23-24-14-25-27(22)23/h2-4,6-7,10-12,14,22H,5,8-9,13H2,1H3,(H,24,25,26)InChIKey
GTKZNCBPIJJZNN-UHFFFAOYSA-NSynonyms
9(3methoxy4phenylmethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
9(4(benzyloxy)3methoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N=C4N2NC=N4)OCC5=CC=CC=C5
InChI=1SC23H22N4O3c129201216(101119(20)3013156324715)222117(85918(21)28)262324142527(22)23h246710121422H58913H21H3(H242526)
MFCD02971642
ZINC000000950978
ZINC000000950979
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