Vitas-M small molecule compound
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK570333
SMILES Br/C(=C\c1ccccc1)/C=N/Nc1nc2c(n1CC(COc1ccccc1C)O)c(O)nc(=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 C25H25BrN6O4 MW 553.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN6O4/c1-16-8-6-7-11-20(16)36-15-19(33)14-32-21-22(31(2)25(35)29-23(21)34)28-24(32)30-27-13-18(26)12-17-9-4-3-5-10-17/h3-13,19,33H,14-15H2,1-2H3,(H,28,30)(H,29,34,35)/b18-12-,27-13+InChIKey
YJPLOAQATHWVFQ-MNPJPANQSA-NSynonyms
8((2E)2((2Z)2bromo3phenylprop2en1ylidene)hydrazinyl)6hydroxy7(2hydroxy3(2methylphenoxy)propyl)3methyl37dihydro2Hpurin2one
8((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)7(2hydroxy3(2methylphenoxy)propyl)3methylpurine26dione
BrC(=Cc1ccccc1)C=NNc1nc2c(n1CC(COc1ccccc1C)O)c(O)nc(=O)n2C
CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=CC(=CC4=CC=CC=C4)Br)N(C(=O)NC3=O)C)O
InChI=1SC25H25BrN6O4c1168671120(16)361519(33)14322122(31(2)25(35)2923(21)34)2824(32)30271318(26)121794351017h3131933H1415H212H3(H2830)(H293435)b18122713+
MFCD05738737
ZINC000001279791
ZINC000097967737
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