Vitas-M small molecule compound

3-[3-acetyl-4-hydroxy-2-(2-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

Catalog ID
STK538845
SMILES OC(=O)CCN1C(=O)C(=C(C1c1ccccc1[N+](=O)[O-])C(=O)C)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 C15H14N2O7 MW 334.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O7/c1-8(18)12-13(9-4-2-3-5-10(9)17(23)24)16(7-6-11(19)20)15(22)14(12)21/h2-5,13,21H,6-7H2,1H3,(H,19,20)
InChIKey
CQDKDOAWROUQMK-UHFFFAOYSA-N
Synonyms
371924-77-5
3(3acetyl4hydroxy2(2nitrophenyl)5oxo25dihydro1Hpyrrol1yl)propanoicacid
3(3ACETYL4HYDROXY2(2NITROPHENYL)5OXO2HPYRROL1YL)PROPANOICACID
371924775
CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2(N+)(=O)(O))CCC(=O)O)O
InChI=1SC15H14N2O7c18(18)1213(9423510(9)17(23)24)16(7611(19)20)15(22)14(12)21h251321H67H21H3(H1920)
MFCD02159085
OC(=O)CCN1C(=O)C(=C(C1c1ccccc1(N+)(=O)(O))C(=O)C)O
ZINC000000074498
ZINC000000074507

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Available files

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