Vitas-M small molecule compound

2-[(2-chlorobenzyl)sulfanyl]-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK250462
SMILES Oc1ccc(cc1)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/c23-16-5-2-1-4-14(16)12-30-22-25-21-24-17-6-3-7-18(29)19(17)20(27(21)26-22)13-8-10-15(28)11-9-13/h1-2,4-5,8-11,20,28H,3,6-7,12H2,(H,24,25,26)
InChIKey
YHTPJSZCNWCCCD-UHFFFAOYSA-N
Synonyms
536983-14-9
2((2chlorobenzyl)sulfanyl)9(4hydroxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorophenyl)methylsulfanyl)9(4hydroxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536983149
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4Cl)C5=CC=C(C=C5)O)C(=O)C1
InChI=1SC22H19ClN4O2Sc2316521414(16)1230222521241763718(29)19(17)20(27(21)2622)1381015(28)11913h12458112028H36712H2(H242526)
MFCD04457049
ZINC000001282817
ZINC000001282818

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Available files

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