Vitas-M small molecule compound
2-[(4-nitrobenzyl)sulfanyl]-9H-purin-6-ol
Catalog ID
STK947560
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nc(O)c2c(n1)[nH]cn2
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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 C12H9N5O3S MW 303.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N5O3S/c18-11-9-10(14-6-13-9)15-12(16-11)21-5-7-1-3-8(4-2-7)17(19)20/h1-4,6H,5H2,(H2,13,14,15,16,18)InChIKey
WHKVCAGKGQNACH-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)CSc1nc(O)c2c(n1)(nH)cn2
2((4nitrobenzyl)sulfanyl)9Hpurin6ol
2((4NITROPHENYL)METHYLSULFANYL)37DIHYDROPURIN6ONE
C1=CC(=CC=C1CSC2=NC(=O)C3=C(N2)N=CN3)(N+)(=O)(O)
InChI=1SC12H9N5O3Sc1811910(146139)1512(1611)2157138(427)17(19)20h146H5H2(H21314151618)
MFCD06623814
ZINC000010003409
ZINC10003409
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