Vitas-M small molecule compound
9-(3-bromophenyl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335392
SMILES Brc1cccc(c1)C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1ccccn1
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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 C21H18BrN5OS MW 468.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5OS/c22-14-6-3-5-13(11-14)19-18-16(8-4-9-17(18)28)24-20-25-21(26-27(19)20)29-12-15-7-1-2-10-23-15/h1-3,5-7,10-11,19H,4,8-9,12H2,(H,24,25,26)InChIKey
IESASHGCCNOJMH-UHFFFAOYSA-NSynonyms
9(3bromophenyl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(3bromophenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=CC(=CC=C5)Br)C(=O)C1
InChI=1SC21H18BrN5OSc221463513(1114)191816(84917(18)28)24202521(2627(19)20)291215712102315h1357101119H48912H2(H242526)
MFCD09799175
ZINC000018198832
ZINC000018198834
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