Vitas-M small molecule compound

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

Catalog ID
STK009799
SMILES COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)C)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 C22H22N6O3 MW 418.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3/c1-14-4-6-16(7-5-14)13-28-18-19(27(2)22(30)25-20(18)29)24-21(28)26-23-12-15-8-10-17(31-3)11-9-15/h4-12H,13H2,1-3H3,(H,24,26)(H,25,29,30)/b23-12+
InChIKey
NVTSMWCRXICAIA-FSJBWODESA-N
Synonyms
303970-07-2
(E)8(2(4methoxybenzylidene)hydrazinyl)3methyl7(4methylbenzyl)1Hpurine26(3H7H)dione
303970072
8((2E)2((4METHOXYPHENYL)METHYLIDENE)HYDRAZINYL)3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8((2E)2(4METHOXYBENZYLIDENE)HYDRAZINYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CC=C(C=C4)OC)N(C(=O)NC3=O)C
COc1ccc(cc1)C=NNc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
InChI=1SC22H22N6O3c1144616(7514)13281819(27(2)22(30)2520(18)29)2421(28)2623121581017(313)11915h412H13H213H3(H2426)(H252930)b2312+
MFCD01555760
STK009799
ZINC000004032269
ZINC33937926

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Available files

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