Vitas-M small molecule compound
N-[(2-methyl-3,5-dinitrophenyl)carbonyl]glutamic acid
Catalog ID
STK377455
SMILES OC(=O)CCC(C(=O)O)NC(=O)c1cc(cc(c1C)[N+](=O)[O-])[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 C13H13N3O9 MW 355.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O9/c1-6-8(4-7(15(22)23)5-10(6)16(24)25)12(19)14-9(13(20)21)2-3-11(17)18/h4-5,9H,2-3H2,1H3,(H,14,19)(H,17,18)(H,20,21)InChIKey
LLTHVYKEMSOTEY-UHFFFAOYSA-NSynonyms
2((2METHYL35DINITROBENZOYL)AMINO)PENTANEDIOICACID
2((2METHYL35DINITROPHENYL)CARBONYLAMINO)PENTANEDIOICACID
CC1=C(C=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H13N3O9c168(47(15(22)23)510(6)16(24)25)12(19)149(13(20)21)2311(17)18h459H23H21H3(H1419)(H1718)(H2021)
MFCD01529774
N((2methyl35dinitrophenyl)carbonyl)glutamicacid
OC(=O)CCC(C(=O)O)NC(=O)c1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O)
ZINC000004181856
ZINC000004181857
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