Vitas-M small molecule compound
7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK764581
SMILES OCCn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C
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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 C16H17N7O5 MW 387.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N7O5/c1-20-13-12(14(25)21(2)16(20)26)22(6-7-24)15(18-13)19-17-9-10-4-3-5-11(8-10)23(27)28/h3-5,8-9,24H,6-7H2,1-2H3,(H,18,19)/b17-9+InChIKey
ZFSJEBCKTKBXQW-RQZCQDPDSA-NSynonyms
(E)7(2hydroxyethyl)13dimethyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
7(2hydroxyethyl)13dimethyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
7(2hydroxyethyl)13dimethyl8((2E)2(3nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC(=CC=C3)(N+)(=O)(O))CCO
InChI=1SC16H17N7O5c1201312(14(25)21(2)16(20)26)22(6724)15(1813)191791043511(810)23(27)28h358924H67H212H3(H1819)b179+
MFCD02239561
OCCn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)n(c(=O)n2C)C
ZINC000005226259
ZINC83314038
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