Vitas-M small molecule compound
7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL325965
SMILES OC(Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)[nH]c(=O)n2C)COC(C)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 C20H25N7O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N7O6/c1-11(2)33-10-15(28)9-26-16-17(25(4)20(30)22-18(16)29)21-19(26)24-23-12(3)13-5-7-14(8-6-13)27(31)32/h5-8,11,15,28H,9-10H2,1-4H3,(H,21,24)(H,22,29,30)/b23-12+InChIKey
ZYNJRGMSYHBVKT-FSJBWODESA-NSynonyms
372088-73-8(E)7(2hydroxy3isopropoxypropyl)3methyl8(2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
372088738
7(2hydroxy3(propan2yloxy)propyl)3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
7(2hydroxy3propan2yloxypropyl)3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)purine26dione
CC(C)OCC(CN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C)O
InChI=1SC20H25N7O6c111(2)331015(28)9261617(25(4)20(30)2218(16)29)2119(26)242312(3)135714(8613)27(31)32h58111528H910H214H3(H2124)(H222930)b2312+
MFCD01876882
OC(Cn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)(nH)c(=O)n2C)COC(C)C
ZINC000009144902
ZINC000009144903
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.