Vitas-M small molecule compound
9-(2,3-dichlorophenyl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335384
SMILES O=C1CCCC2=C1C(n1c(N2)nc(n1)SCc1ccccn1)c1cccc(c1Cl)Cl
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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/c22-14-7-3-6-13(18(14)23)19-17-15(8-4-9-16(17)29)25-20-26-21(27-28(19)20)30-11-12-5-1-2-10-24-12/h1-3,5-7,10,19H,4,8-9,11H2,(H,25,26,27)InChIKey
DYODENUATHRHGM-UHFFFAOYSA-NSynonyms
9(23dichlorophenyl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(23dichlorophenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=C(C(=CC=C5)Cl)Cl)C(=O)C1
InChI=1SC21H17Cl2N5OSc221473613(18(14)23)191715(84916(17)29)25202621(2728(19)20)301112512102412h13571019H48911H2(H252627)
MFCD09799218
ZINC000018198807
ZINC000018198809
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