Vitas-M small molecule compound
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540251
SMILES COc1ccc(cc1)/C=N/Nc1nc2c(n1CC(COc1ccccc1C)O)c(=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 C25H28N6O5 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O5/c1-16-7-5-6-8-20(16)36-15-18(32)14-31-21-22(29(2)25(34)30(3)23(21)33)27-24(31)28-26-13-17-9-11-19(35-4)12-10-17/h5-13,18,32H,14-15H2,1-4H3,(H,27,28)/b26-13+InChIKey
NLBSMPGUMUHSFY-LGJNPRDNSA-NSynonyms
(E)7(2hydroxy3(otolyloxy)propyl)8(2(4methoxybenzylidene)hydrazinyl)13dimethyl1Hpurine26(3H7H)dione
7(2hydroxy3(2methylphenoxy)propyl)8((2E)2((4methoxyphenyl)methylidene)hydrazinyl)13dimethylpurine26dione
7(2hydroxy3(2methylphenoxy)propyl)8((2E)2(4methoxybenzylidene)hydrazinyl)13dimethyl37dihydro1Hpurine26dione
CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=CC4=CC=C(C=C4)OC)N(C(=O)N(C3=O)C)C)O
COc1ccc(cc1)C=NNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C
InChI=1SC25H28N6O5c116756820(16)361518(32)14312122(29(2)25(34)30(3)23(21)33)2724(31)2826131791119(354)121017h5131832H1415H214H3(H2728)b2613+
MFCD02237467
ZINC000005360528
ZINC000005360533
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