Vitas-M small molecule compound

9-(3-ethoxy-4-hydroxyphenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK263156
SMILES CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccco2)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 C21H20N4O4 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4/c1-2-28-18-10-12(5-6-15(18)26)20-19-14(24-21-22-11-23-25(20)21)8-13(9-16(19)27)17-4-3-7-29-17/h3-7,10-11,13,20,26H,2,8-9H2,1H3,(H,22,23,24)
InChIKey
NPGBVOQBCJDFFM-UHFFFAOYSA-N
Synonyms

9(3ethoxy4hydroxyphenyl)6(furan2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(3ethoxy4hydroxyphenyl)6(furan2yl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CO4)N=C5N2NC=N5)O
InChI=1SC21H20N4O4c1228181012(5615(18)26)201914(242122112325(20)21)813(916(19)27)174372917h371011132026H289H21H3(H222324)
MFCD08088830
ZINC000009483816
ZINC000013535730

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Available files

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