Vitas-M small molecule compound
2-hydroxy-2-(1-nitroethyl)-2,3-dihydronaphthalene-1,4-dione
Catalog ID
STL477681
SMILES [O-][N+](=O)C(C1(O)CC(=O)c2c(C1=O)cccc2)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 C12H11NO5 MW 249.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11NO5/c1-7(13(17)18)12(16)6-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,16H,6H2,1H3InChIKey
HTEJQUKWBHHKMP-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)C(C1(O)CC(=O)c2c(C1=O)cccc2)C
2hydroxy2(1nitroethyl)23dihydronaphthalene14dione
3hydroxy3(1nitroethyl)2Hnaphthalene14dione
CC(C1(CC(=O)C2=CC=CC=C2C1=O)O)(N+)(=O)(O)
InChI=1SC12H11NO5c17(13(17)18)12(16)610(14)842359(8)11(12)15h25716H6H21H3
MFCD30502780
ZINC000334160571
ZINC000334160574
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