Vitas-M small molecule compound
7-(4-chlorobenzyl)-1,3-dimethyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK557839
SMILES Clc1ccc(cc1)Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)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 C22H20ClN7O4 MW 481.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN7O4/c1-13(15-6-10-17(11-7-15)30(33)34)25-26-21-24-19-18(20(31)28(3)22(32)27(19)2)29(21)12-14-4-8-16(23)9-5-14/h4-11H,12H2,1-3H3,(H,24,26)/b25-13+InChIKey
MABRSFFJSBALEN-DHRITJCHSA-NSynonyms
536719-28-5(E)7(4chlorobenzyl)13dimethyl8(2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
536719285
7((4chlorophenyl)methyl)13dimethyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)purine26dione
7(4chlorobenzyl)13dimethyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
CC(=NNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)Cn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC22H20ClN7O4c113(1561017(11715)30(33)34)252621241918(20(31)28(3)22(32)27(19)2)29(21)12144816(23)9514h411H12H213H3(H2426)b2513+
MFCD04028157
ZINC000009313017
ZINC33518751
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