Vitas-M small molecule compound
N-acetyl-3,5-dinitrotyrosine
Catalog ID
STK639546
SMILES CC(=O)NC(C(=O)O)Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[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 C11H11N3O8 MW 313.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3O8/c1-5(15)12-7(11(17)18)2-6-3-8(13(19)20)10(16)9(4-6)14(21)22/h3-4,7,16H,2H2,1H3,(H,12,15)(H,17,18)InChIKey
CFKZKLOBRPCKTF-UHFFFAOYSA-NSynonyms
91384-12-22(ACETYLAMINO)3(4HYDROXY35DINITROPHENYL)PROPANOICACID
2ACETAMIDO3(35DINITRO4OXIDANYLPHENYL)PROPANOICACID
2ACETAMIDO3(4HYDROXY35DINITROPHENYL)PROPANOICACID
35DINITROACETYLLTYROSINE
91384122
CC(=O)NC(C(=O)O)Cc1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))O
CC(=O)NC(CC1=CC(=C(C(=C1)(N+)(=O)(O))O)(N+)(=O)(O))C(=O)O
InChI=1SC11H11N3O8c15(15)127(11(17)18)2638(13(19)20)10(16)9(46)14(21)22h34716H2H21H3(H1215)(H1718)
MFCD00548579
NACETYL35DINITRODTYROSINE
Nacetyl35dinitrotyrosine
ZINC000001730677
ZINC000001782762
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