Vitas-M small molecule compound
6-hydroxy-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-7-(propan-2-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL054001
SMILES [O-][N+](=O)c1cccc(c1)/C=N/Nc1nc2c(n1C(C)C)c(O)nc(=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 C16H17N7O4 MW 371.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N7O4/c1-9(2)22-12-13(21(3)16(25)19-14(12)24)18-15(22)20-17-8-10-5-4-6-11(7-10)23(26)27/h4-9H,1-3H3,(H,18,20)(H,19,24,25)/b17-8+InChIKey
FKIXQOSKMQMKIP-CAOOACKPSA-NSynonyms
714937-86-7(O)(N+)(=O)c1cccc(c1)C=NNc1nc2c(n1C(C)C)c(O)nc(=O)n2C
3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)7propan2ylpurine26dione
6hydroxy3methyl8((2E)2(3nitrobenzylidene)hydrazinyl)7(propan2yl)37dihydro2Hpurin2one
714937867
CC(C)N1C2=C(N=C1NN=CC3=CC(=CC=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC16H17N7O4c19(2)221213(21(3)16(25)1914(12)24)1815(22)201781054611(710)23(26)27h49H13H3(H1820)(H192425)b178+
MFCD05736413
ZINC000009009170
ZINC33925461
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