Vitas-M small molecule compound
[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid
Catalog ID
STL001880
SMILES OC(=O)CN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)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 C14H12N2O7 MW 320.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O7/c1-7(17)11-12(8-3-2-4-9(5-8)16(22)23)15(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)InChIKey
NGDGUEBOYDSBLW-UHFFFAOYSA-NSynonyms
311763-53-8(3acetyl4hydroxy2(3nitrophenyl)5oxo25dihydro1Hpyrrol1yl)aceticacid
2(3acetyl4hydroxy2(3nitrophenyl)5oxo25dihydro1Hpyrrol1yl)aceticacid
2(3ACETYL4HYDROXY2(3NITROPHENYL)5OXO2HPYRROL1YL)ACETICACID
2(3ACETYL4HYDROXY2(3NITROPHENYL)5OXO3PYRROLINYL)ACETICACID
311763538
CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)(N+)(=O)(O))CC(=O)O)O
InChI=1SC14H12N2O7c17(17)1112(83249(58)16(22)23)15(610(18)19)14(21)13(11)20h251220H6H21H3(H1819)
MFCD00827964
OC(=O)CN1C(c2cccc(c2)(N+)(=O)(O))C(=C(C1=O)O)C(=O)C
ZINC000000283237
ZINC000000283243
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