Vitas-M small molecule compound
1,3-dimethyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK537540
SMILES C=CCn1c(N/N=C/c2ccc(cc2)[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 C17H17N7O4 MW 383.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O4/c1-4-9-23-13-14(21(2)17(26)22(3)15(13)25)19-16(23)20-18-10-11-5-7-12(8-6-11)24(27)28/h4-8,10H,1,9H2,2-3H3,(H,19,20)/b18-10+InChIKey
NGKXKDHZKKLPFS-VCHYOVAHSA-NSynonyms
376617-98-0(E)7allyl13dimethyl8(2(4nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
13dimethyl8((2E)2((4nitrophenyl)methylidene)hydrazinyl)7prop2enylpurine26dione
13dimethyl8((2E)2(4nitrobenzylidene)hydrazinyl)7(prop2en1yl)37dihydro1Hpurine26dione
376617980
8(((1E)2(4NITROPHENYL)1AZAVINYL)AMINO)13DIMETHYL7PROP2ENYL137TRIHYDROPURINE26DIONE
C=CCn1c(NN=Cc2ccc(cc2)(N+)(=O)(O))nc2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)(N+)(=O)(O))CC=C
InChI=1SC17H17N7O4c149231314(21(2)17(26)22(3)15(13)25)1916(23)201810115712(8611)24(27)28h4810H19H223H3(H1920)b1810+
MFCD02982122
ZINC000017138384
ZINC33334650
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