Vitas-M small molecule compound

7-(4-chlorobenzyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK047241
SMILES COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=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 C21H19ClN6O3 MW 438.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O3/c1-27-18-17(19(29)25-21(27)30)28(12-14-3-7-15(22)8-4-14)20(24-18)26-23-11-13-5-9-16(31-2)10-6-13/h3-11H,12H2,1-2H3,(H,24,26)(H,25,29,30)/b23-11+
InChIKey
OQRHDLSRKQJDTL-FOKLQQMPSA-N
Synonyms
303971-35-9
(E)7(4chlorobenzyl)8(2(4methoxybenzylidene)hydrazinyl)3methyl1Hpurine26(3H7H)dione
303971359
7((4chlorophenyl)methyl)8((2E)2((4methoxyphenyl)methylidene)hydrazinyl)3methylpurine26dione
7(4CHLOROBENZYL)8((2E)2(4METHOXYBENZYLIDENE)HYDRAZINYL)3METHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)Cl
COc1ccc(cc1)C=NNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
InChI=1SC21H19ClN6O3c1271817(19(29)2521(27)30)28(12143715(22)8414)20(2418)262311135916(312)10613h311H12H212H3(H2426)(H252930)b2311+
MFCD01142790
STK047241
ZINC000008809353
ZINC96444226

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Available files

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