Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK840196
SMILES C/C(=C\Cn1c(N/N=C/c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C)/Cl
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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 C17H16ClN7O4 MW 417.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN7O4/c1-10(18)7-8-24-13-14(23(2)17(27)21-15(13)26)20-16(24)22-19-9-11-3-5-12(6-4-11)25(28)29/h3-7,9H,8H2,1-2H3,(H,20,22)(H,21,26,27)/b10-7+,19-9+InChIKey
PPTYIGKHTOOGDJ-CNBQOGPHSA-NSynonyms
322409-18-7322409187
7((2E)3chlorobut2en1yl)3methyl8((2E)2(4nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
7((E)3chlorobut2en1yl)3methyl8((E)2(4nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
7((E)3chlorobut2enyl)3methyl8((2E)2((4nitrophenyl)methylidene)hydrazinyl)purine26dione
CC(=CCn1c(NN=Cc2ccc(cc2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C)Cl
CC(=CCN1C2=C(N=C1NN=CC3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C)Cl
InChI=1SC17H16ClN7O4c110(18)78241314(23(2)17(27)2115(13)26)2016(24)22199113512(6411)25(28)29h379H8H212H3(H2022)(H212627)b107+199+
MFCD01555802
ZINC000013230654
ZINC33909831
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