Vitas-M small molecule compound

7-(2-methoxyethyl)-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537427
SMILES COCCn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C

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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/c1-21-13-12(14(24)19-16(21)25)22(6-7-28-2)15(18-13)20-17-9-10-4-3-5-11(8-10)23(26)27/h3-5,8-9H,6-7H2,1-2H3,(H,18,20)(H,19,24,25)/b17-9+
InChIKey
AJADUJLQWSUODK-RQZCQDPDSA-N
Synonyms
333769-21-4
(E)7(2methoxyethyl)3methyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
333769214
7(2methoxyethyl)3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
7(2methoxyethyl)3methyl8((2E)2(3nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
8(((1E)2(3NITROPHENYL)1AZAVINYL)AMINO)7(2METHOXYETHYL)3METHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)(N+)(=O)(O))CCOC
COCCn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC16H17N7O5c1211312(14(24)1916(21)25)22(67282)15(1813)201791043511(810)23(26)27h3589H67H212H3(H1820)(H192425)b179+
MFCD01879892
ZINC000005296995
ZINC33926709

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Available files

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