Vitas-M small molecule compound

9-(4-hydroxy-3-methoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK232080
SMILES CSc1nc2n(n1)C(c1ccc(c(c1)OC)O)C1=C(N2)CCCC1=O

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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 C17H18N4O3S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O3S/c1-24-13-8-9(6-7-11(13)22)15-14-10(4-3-5-12(14)23)18-16-19-17(25-2)20-21(15)16/h6-8,15,22H,3-5H2,1-2H3,(H,18,19,20)
InChIKey
HTYBGDKXHQTSMA-UHFFFAOYSA-N
Synonyms
727395-35-9
727395359
9(4hydroxy3methoxyphenyl)2(methylsulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4hydroxy3methoxyphenyl)2(methylthio)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4hydroxy3methoxyphenyl)2methylsulfanyl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SC)O
InChI=1SC17H18N4O3Sc1241389(6711(13)22)151410(43512(14)23)18161917(252)2021(15)16h681522H35H212H3(H181920)
MFCD06193012
ZINC000004436120
ZINC000004436124

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Available files

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