Vitas-M small molecule compound
8-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK021228
SMILES Cc1ccc(cc1)Cn1c(N/N=C/2\C(=O)Nc3c2cc(Br)cc3)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 C22H18BrN7O3 MW 508.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN7O3/c1-11-3-5-12(6-4-11)10-30-17-18(29(2)22(33)26-20(17)32)25-21(30)28-27-16-14-9-13(23)7-8-15(14)24-19(16)31/h3-9H,10H2,1-2H3,(H,25,28)(H,24,27,31)(H,26,32,33)InChIKey
LIMKRBUMSJRBGB-UHFFFAOYSA-NSynonyms
(Z)8(2(5bromo2oxoindolin3ylidene)hydrazinyl)3methyl7(4methylbenzyl)1Hpurine26(3H7H)dione
8((2Z)2(5BROMO2OXO12DIHYDRO3HINDOL3YLIDENE)HYDRAZINYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8(2(5BROMO2OXOINDOL3YL)HYDRAZINYL)3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NNC4=C5C=C(C=CC5=NC4=O)Br)N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(NN=C2C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC22H18BrN7O3c1113512(6411)10301718(29(2)22(33)2620(17)32)2521(30)28271614913(23)7815(14)2419(16)31h39H10H212H3(H2528)(H242731)(H263233)
MFCD01554306
STK021228
ZINC000008985666
ZINC08985666
ZINC8985666
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.