Vitas-M small molecule compound
4-(2,1,3-benzoxadiazol-4-yl)-5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK638426
SMILES S=c1[nH]nc(n1c1cccc2c1non2)Cn1c(nc2c1cccc2)c1ccccn1
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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 C21H14N8OS MW 426.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N8OS/c31-21-25-24-18(29(21)17-10-5-8-14-19(17)27-30-26-14)12-28-16-9-2-1-6-13(16)23-20(28)15-7-3-4-11-22-15/h1-11H,12H2,(H,25,31)InChIKey
CEGNRBPOVBTOIG-UHFFFAOYSA-NSynonyms
951980-61-34(213benzoxadiazol4yl)3((2pyridin2ylbenzimidazol1yl)methyl)1H124triazole5thione
4(213benzoxadiazol4yl)5((2(pyridin2yl)1Hbenzimidazol1yl)methyl)24dihydro3H124triazole3thione
951980613
C1=CC=C2C(=C1)N=C(N2CC3=NNC(=S)N3C4=CC=CC5=NON=C54)C6=CC=CC=N6
InChI=1SC21H14N8OSc3121252418(29(21)1710581419(17)27302614)122816921613(16)2320(28)15734112215h111H12H2(H2531)
MFCD18161690
S=c1(nH)nc(n1c1cccc2c1non2)Cn1c(nc2c1cccc2)c1ccccn1
ZINC000013691488
ZINC13691488
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