Vitas-M small molecule compound
2-ethyl-5-[(2-hydroxy-5-nitrophenyl)amino]-5-oxopentanoic acid
Catalog ID
STK551025
SMILES CCC(C(=O)O)CCC(=O)Nc1cc(ccc1O)[N+](=O)[O-]
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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 C13H16N2O6 MW 296.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O6/c1-2-8(13(18)19)3-6-12(17)14-10-7-9(15(20)21)4-5-11(10)16/h4-5,7-8,16H,2-3,6H2,1H3,(H,14,17)(H,18,19)InChIKey
HSLWETXTYUFAAR-UHFFFAOYSA-NSynonyms
511307-39-42ethyl5((2hydroxy5nitrophenyl)amino)5oxopentanoicacid
2ETHYL5(2HYDROXY5NITROANILINO)5OXOPENTANOICACID
511307394
CCC(C(=O)O)CCC(=O)Nc1cc(ccc1O)(N+)(=O)(O)
CCC(CCC(=O)NC1=C(C=CC(=C1)(N+)(=O)(O))O)C(=O)O
InChI=1SC13H16N2O6c128(13(18)19)3612(17)141079(15(20)21)4511(10)16h457816H236H21H3(H1417)(H1819)
MFCD03676087
ZINC000020171711
ZINC000020171713
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