Vitas-M small molecule compound
9-(2,4-dichlorophenyl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335385
SMILES Clc1ccc(c(c1)Cl)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 C21H17Cl2N5OS MW 458.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N5OS/c22-12-7-8-14(15(23)10-12)19-18-16(5-3-6-17(18)29)25-20-26-21(27-28(19)20)30-11-13-4-1-2-9-24-13/h1-2,4,7-10,19H,3,5-6,11H2,(H,25,26,27)InChIKey
CGRNCSUMCQNKKJ-UHFFFAOYSA-NSynonyms
9(24dichlorophenyl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(24dichlorophenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=C(C=C(C=C5)Cl)Cl)C(=O)C1
InChI=1SC21H17Cl2N5OSc22127814(15(23)1012)191816(53617(18)29)25202621(2728(19)20)30111341292413h12471019H35611H2(H252627)
MFCD09799223
ZINC000018198811
ZINC000018198813
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