Vitas-M small molecule compound

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

Catalog ID
STK035969
SMILES COc1ccc(cc1)/C(=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)[nH]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 C23H24N6O3 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N6O3/c1-14-5-7-16(8-6-14)13-29-19-20(28(3)23(31)25-21(19)30)24-22(29)27-26-15(2)17-9-11-18(32-4)12-10-17/h5-12H,13H2,1-4H3,(H,24,27)(H,25,30,31)/b26-15+
InChIKey
TWTZMKOLRMGVRW-CVKSISIWSA-N
Synonyms
303969-93-9
(E)8(2(1(4methoxyphenyl)ethylidene)hydrazinyl)3methyl7(4methylbenzyl)1Hpurine26(3H7H)dione
303969939
8((2E)2(1(4methoxyphenyl)ethylidene)hydrazinyl)3methyl7((4methylphenyl)methyl)purine26dione
8((2E)2(1(4METHOXYPHENYL)ETHYLIDENE)HYDRAZINYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=C(C)C4=CC=C(C=C4)OC)N(C(=O)NC3=O)C
COc1ccc(cc1)C(=NNc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C)C
InChI=1SC23H24N6O3c1145716(8614)13291920(28(3)23(31)2521(19)30)2422(29)272615(2)1791118(324)121017h512H13H214H3(H2427)(H253031)b2615+
MFCD01555398
STK035969
ZINC000008809494
ZINC26608562

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.