Vitas-M small molecule compound
8-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
Catalog ID
STK055211
SMILES [O-][N+](=O)c1ccc2c(c1)nc([nH]2)CSc1nc2c([nH]1)ncnc2N
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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 C13H10N8O2S MW 342.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N8O2S/c14-11-10-12(16-5-15-11)20-13(19-10)24-4-9-17-7-2-1-6(21(22)23)3-8(7)18-9/h1-3,5H,4H2,(H,17,18)(H3,14,15,16,19,20)InChIKey
HNXJTAZMZVOZOO-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)nc((nH)2)CSc1nc2c((nH)1)ncnc2N
8(((5NITRO1HBENZIMIDAZOL2YL)METHYL)SULFANYL)9HPURIN6AMINE
8((6NITRO1HBENZIMIDAZOL2YL)METHYLSULFANYL)7HPURIN6AMINE
8(6NITRO1HBENZOIMIDAZOL2YLMETHYLSULFANYL)9HPURIN6YLAMINE
C1=CC2=C(C=C1(N+)(=O)(O))NC(=N2)CSC3=NC4=C(N3)C(=NC=N4)N
InChI=1SC13H10N8O2Sc14111012(1651511)2013(1910)2449177216(21(22)23)38(7)189h135H4H2(H1718)(H31415161920)
MFCD02198062
STK055211
ZINC000006017180
ZINC02996728
ZINC06017180
ZINC6017180
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