Vitas-M small molecule compound
8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL326837
SMILES OC(Cn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C
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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/c1-14-5-3-4-6-18(14)34-13-17(31)12-30-19-20(29(2)23(33)27-21(19)32)26-22(30)28-25-11-15-7-9-16(24)10-8-15/h3-11,17,31H,12-13H2,1-2H3,(H,26,28)(H,27,32,33)/b25-11+InChIKey
QNPIQDJBHUMXDV-OPEKNORGSA-NSynonyms
372173-76-7(E)8(2(4bromobenzylidene)hydrazinyl)7(2hydroxy3(otolyloxy)propyl)3methyl1Hpurine26(3H7H)dione
372173767
8((2E)2((4bromophenyl)methylidene)hydrazinyl)7(2hydroxy3(2methylphenoxy)propyl)3methylpurine26dione
8((2E)2(4bromobenzylidene)hydrazinyl)7(2hydroxy3(2methylphenoxy)propyl)3methyl37dihydro1Hpurine26dione
CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=CC4=CC=C(C=C4)Br)N(C(=O)NC3=O)C)O
InChI=1SC23H23BrN6O4c114534618(14)341317(31)12301920(29(2)23(33)2721(19)32)2622(30)282511157916(24)10815h3111731H1213H212H3(H2628)(H273233)b2511+
MFCD01879519
OC(Cn1c(NN=Cc2ccc(cc2)Br)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1C
ZINC000100267556
ZINC000100267565
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