Vitas-M small molecule compound
8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-6-olate
Catalog ID
STL046504
SMILES OCC[NH+]1CCN(CC1)c1nc2c(n1CC(COc1c(Br)cc(cc1Br)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 C21H25Br3N6O5 MW 681.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25Br3N6O5/c1-27-18-16(19(33)26-21(27)34)30(20(25-18)29-4-2-28(3-5-29)6-7-31)10-13(32)11-35-17-14(23)8-12(22)9-15(17)24/h8-9,13,31-32H,2-7,10-11H2,1H3,(H,26,33,34)InChIKey
KCBYNSRFYWCWTI-UHFFFAOYSA-NSynonyms
536719-05-8536719058
MFCD18248862
OCC(NH+)1CCN(CC1)c1nc2c(n1CC(COc1c(Br)cc(cc1Br)Br)O)c((O))nc(=O)n2C
ZINC000005356707
ZINC000005356716
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