Vitas-M small molecule compound
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-6-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL149836
SMILES OCCN1CCN(CC1)c1nc2c(n1CC(COc1ccc(cc1)Br)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 C21H27BrN6O5 MW 523.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27BrN6O5/c1-25-18-17(19(31)24-21(25)32)28(12-15(30)13-33-16-4-2-14(22)3-5-16)20(23-18)27-8-6-26(7-9-27)10-11-29/h2-5,15,29-30H,6-13H2,1H3,(H,24,31,32)InChIKey
HOEPTVLXHLWXKX-UHFFFAOYSA-NSynonyms
536719-04-7536719047
7(3(4bromophenoxy)2hydroxypropyl)6hydroxy8(4(2hydroxyethyl)piperazin1yl)3methyl37dihydro2Hpurin2one
7(3(4BROMOPHENOXY)2HYDROXYPROPYL)8(4(2HYDROXYETHYL)PIPERAZIN1YL)3METHYL1HPURINE26(3H7H)DIONE
7(3(4BROMOPHENOXY)2HYDROXYPROPYL)8(4(2HYDROXYETHYL)PIPERAZIN1YL)3METHYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CC(COC4=CC=C(C=C4)Br)O
InChI=1SC21H27BrN6O5c1251817(19(31)2421(25)32)28(1215(30)1333164214(22)3516)20(2318)278626(7927)101129h25152930H613H21H3(H243132)
MFCD04075585
ZINC000013240778
ZINC000013240786
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