Vitas-M small molecule compound
7-heptyl-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK528876
SMILES CCCCCCCn1c(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 C20H25N7O4 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N7O4/c1-3-4-5-6-7-11-26-16-17(25(2)20(29)23-18(16)28)22-19(26)24-21-13-14-9-8-10-15(12-14)27(30)31/h8-10,12-13H,3-7,11H2,1-2H3,(H,22,24)(H,23,28,29)/b21-13+InChIKey
PWJCXDFIMUVRMM-FYJGNVAPSA-NSynonyms
300586-67-8(E)7heptyl3methyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
300586678
7heptyl3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
7heptyl3methyl8((2E)2(3nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
CCCCCCCn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC20H25N7O4c13456711261617(25(2)20(29)2318(16)28)2219(26)24211314981015(1214)27(30)31h8101213H3711H212H3(H2224)(H232829)b2113+
MFCD01550649
ZINC000097944180
ZINC100699342
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