Vitas-M small molecule compound
7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK804376
SMILES OCCCNc1nc2c(n1Cc1cccc(c1)Br)c(=O)n(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 C17H20BrN5O3 MW 422.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20BrN5O3/c1-21-14-13(15(25)22(2)17(21)26)23(16(20-14)19-7-4-8-24)10-11-5-3-6-12(18)9-11/h3,5-6,9,24H,4,7-8,10H2,1-2H3,(H,19,20)InChIKey
TUBUWVNCMBMSJE-UHFFFAOYSA-NSynonyms
305865-57-0305865570
7((3BROMOPHENYL)METHYL)8(3HYDROXYPROPYLAMINO)13DIMETHYLPURINE26DIONE
7(3bromobenzyl)8((3hydroxypropyl)amino)13dimethyl1Hpurine26(3H7H)dione
7(3bromobenzyl)8((3hydroxypropyl)amino)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC(=CC=C3)Br
InChI=1SC17H20BrN5O3c1211413(15(25)22(2)17(21)26)23(16(2014)1974824)101153612(18)911h356924H47810H212H3(H1920)
MFCD01553883
ZINC000049542475
ZINC49542475
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