Vitas-M small molecule compound

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

Catalog ID
STK009523
SMILES OC(Cn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Br

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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 C23H23BrN6O4 MW 527.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN6O4/c1-14(15-6-4-3-5-7-15)27-28-22-25-20-19(21(32)26-23(33)29(20)2)30(22)12-17(31)13-34-18-10-8-16(24)9-11-18/h3-11,17,31H,12-13H2,1-2H3,(H,25,28)(H,26,32,33)/b27-14+
InChIKey
KDKHLBQZEXOAFM-MZJWZYIUSA-N
Synonyms
303970-70-9
(E)7(3(4bromophenoxy)2hydroxypropyl)3methyl8(2(1phenylethylidene)hydrazinyl)1Hpurine26(3H7H)dione
303970709
7(3(4BROMOPHENOXY)2HYDROXYPROPYL)3METHYL8((2E)2(1PHENYLETHYLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
7(3(4bromophenoxy)2hydroxypropyl)3methyl8((2E)2(1phenylethylidene)hydrazinyl)purine26dione
CC(=NNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Br)O)C(=O)NC(=O)N2C)C4=CC=CC=C4
InChI=1SC23H23BrN6O4c114(156435715)272822252019(21(32)2623(33)29(20)2)30(22)1217(31)13341810816(24)91118h3111731H1213H212H3(H2528)(H263233)b2714+
MFCD01142838
OC(Cn1c(NN=C(c2ccccc2)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Br
STK009523
ZINC000100681210
ZINC000100681215

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Available files

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