Vitas-M small molecule compound

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

Catalog ID
STK569050
SMILES O=C1C(=C(C(N1c1cccc(c1)C(=O)O)c1cccc(c1)[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 C19H14N2O7 MW 382.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O7/c1-10(22)15-16(11-4-2-7-14(8-11)21(27)28)20(18(24)17(15)23)13-6-3-5-12(9-13)19(25)26/h2-9,16,23H,1H3,(H,25,26)
InChIKey
ZUDZKDRBPGINOQ-UHFFFAOYSA-N
Synonyms
488731-22-2
3((2S)3ACETYL4HYDROXY2(3NITROPHENYL)5OXO25DIHYDRO1HPYRROL1YL)BENZOICACID
3(3acetyl4hydroxy2(3nitrophenyl)5oxo25dihydro1Hpyrrol1yl)benzoicacid
3(3ACETYL4HYDROXY2(3NITROPHENYL)5OXO2HPYRROL1YL)BENZOICACID
488731222
CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=CC(=C3)C(=O)O)O
InChI=1SC19H14N2O7c110(22)1516(1142714(811)21(27)28)20(18(24)17(15)23)1363512(913)19(25)26h291623H1H3(H2526)
MFCD02158681
O=C1C(=C(C(N1c1cccc(c1)C(=O)O)c1cccc(c1)(N+)(=O)(O))C(=O)C)O
ZINC000017858393
ZINC000018156278

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.