Vitas-M small molecule compound

4-{5-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid

Catalog ID
STK127516
SMILES CCN1C(=O)N/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)O)/C1=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 C17H14N2O5 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5/c1-2-19-15(20)13(18-17(19)23)9-12-7-8-14(24-12)10-3-5-11(6-4-10)16(21)22/h3-9H,2H2,1H3,(H,18,23)(H,21,22)/b13-9+
InChIKey
QLVTVSGYDZRGBK-UKTHLTGXSA-N
Synonyms

4(5((E)(1ETHYL25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCN1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)NC1=O
CCN1C(=O)NC(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O
InChI=1SC17H14N2O5c121915(20)13(1817(19)23)9127814(2412)103511(6410)16(21)22h39H2H21H3(H1823)(H2122)b139+
MFCD04319989
ZINC000004700294
ZINC4700294

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Available files

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