Vitas-M small molecule compound
7,7'-(oxydiethane-2,1-diyl)bis(8-bromo-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one)
Catalog ID
STL048028
SMILES Brc1nc2c(n1CCOCCn1c(Br)nc3c1c(O)nc(=O)n3C)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 C16H16Br2N8O5 MW 560.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16Br2N8O5/c1-23-9-7(11(27)21-15(23)29)25(13(17)19-9)3-5-31-6-4-26-8-10(20-14(26)18)24(2)16(30)22-12(8)28/h3-6H2,1-2H3,(H,21,27,29)(H,22,28,30)InChIKey
XKNHLAQNZWAFJC-UHFFFAOYSA-NSynonyms
77(oxydiethane21diyl)bis(8bromo6hydroxy3methyl37dihydro2Hpurin2one)
8BROMO7(2(2(8BROMO3METHYL26DIOXOPURIN7YL)ETHOXY)ETHYL)3METHYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCOCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C
InChI=1SC16H16Br2N8O5c12397(11(27)2115(23)29)25(13(17)199)35316426810(2014(26)18)24(2)16(30)2212(8)28h36H212H3(H212729)(H222830)
MFCD05725242
ZINC000053333162
ZINC53333162
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