Vitas-M small molecule compound

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

Catalog ID
STK029786
SMILES Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)Cl)nc2c1c(=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 C21H19ClN6O2 MW 422.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O2/c1-13-3-5-15(6-4-13)12-28-17-18(27(2)21(30)25-19(17)29)24-20(28)26-23-11-14-7-9-16(22)10-8-14/h3-11H,12H2,1-2H3,(H,24,26)(H,25,29,30)/b23-11+
InChIKey
CTEGAOCIACJRKR-FOKLQQMPSA-N
Synonyms
303969-76-8
(E)8(2(4chlorobenzylidene)hydrazinyl)3methyl7(4methylbenzyl)1Hpurine26(3H7H)dione
303969768
8((2E)2((4chlorophenyl)methylidene)hydrazinyl)3methyl7((4methylphenyl)methyl)purine26dione
8((2E)2(4CHLOROBENZYLIDENE)HYDRAZINYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CC=C(C=C4)Cl)N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(NN=Cc2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC21H19ClN6O2c1133515(6413)12281718(27(2)21(30)2519(17)29)2420(28)262311147916(22)10814h311H12H212H3(H2426)(H252930)b2311+
MFCD01951278
STK029786
ZINC000008809349
ZINC83313995

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Available files

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