Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STL436016
SMILES O=C1CCCC2=C1C(c1cccnc1)n1c(N2)nc(n1)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 C21H18ClN5OS MW 423.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5OS/c22-15-7-2-1-5-14(15)12-29-21-25-20-24-16-8-3-9-17(28)18(16)19(27(20)26-21)13-6-4-10-23-11-13/h1-2,4-7,10-11,19H,3,8-9,12H2,(H,24,25,26)InChIKey
GXWFNQWARQWODL-UHFFFAOYSA-NSynonyms
536983-08-12((2chlorobenzyl)sulfanyl)9(pyridin3yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorobenzyl)thio)9(pyridin3yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorophenyl)methylsulfanyl)9pyridin3yl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536983081
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4Cl)C5=CN=CC=C5)C(=O)C1
InChI=1SC21H18ClN5OSc2215721514(15)1229212520241683917(28)18(16)19(27(20)2621)136410231113h1247101119H38912H2(H242526)
MFCD04457047
ZINC000001283384
ZINC000001283385
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