Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217467
SMILES Oc1cccc(c1)C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1ccccc1Cl
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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 C22H19ClN4O2S MW 438.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O2S/c23-16-8-2-1-5-14(16)12-30-22-25-21-24-17-9-4-10-18(29)19(17)20(27(21)26-22)13-6-3-7-15(28)11-13/h1-3,5-8,11,20,28H,4,9-10,12H2,(H,24,25,26)InChIKey
CKKWWEBAZKUBPC-UHFFFAOYSA-NSynonyms
536982-83-92((2chlorobenzyl)sulfanyl)9(3hydroxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorobenzyl)thio)9(3hydroxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorophenyl)methylsulfanyl)9(3hydroxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536982839
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)O)C(=O)C1
InChI=1SC22H19ClN4O2Sc2316821514(16)12302225212417941018(29)19(17)20(27(21)2622)1363715(28)1113h1358112028H491012H2(H242526)
MFCD04457043
ZINC000001282833
ZINC000001282834
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