Vitas-M small molecule compound
1'-{[benzyl(methyl)amino]methyl}-5-bromo-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Catalog ID
STK734421
SMILES CN(CN1c2ccccc2C2(C1=O)OCC(CO2)(Br)[N+](=O)[O-])Cc1ccccc1
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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 C20H20BrN3O5 MW 462.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O5/c1-22(11-15-7-3-2-4-8-15)14-23-17-10-6-5-9-16(17)20(18(23)25)28-12-19(21,13-29-20)24(26)27/h2-10H,11-14H2,1H3InChIKey
QCUDFWSZJGVUTR-UHFFFAOYSA-NSynonyms
1((benzyl(methyl)amino)methyl)5bromo5nitrospiro(13dioxane23indol)2(1H)one1((BENZYL(METHYL)AMINO)METHYL)5BROMO5NITROSPIRO(13DIOXANE23INDOLE)2ONE
CN(CC1=CC=CC=C1)CN2C3=CC=CC=C3C4(C2=O)OCC(CO4)((N+)(=O)(O))Br
CN(CN1c2ccccc2C2(C1=O)OCC(CO2)(Br)(N+)(=O)(O))Cc1ccccc1
Registry IDs
MFCD03942007ZINC000012414095
ZINC12414095
Check stock
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Check stock on Vitas-MAvailable files
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