Vitas-M small molecule compound

3-{5-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid

Catalog ID
STK185110
SMILES CCOC(=O)/C(=C/c1ccc(o1)c1cccc(c1)C(=O)O)/C#N

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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 C17H13NO5 MW 311.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO5/c1-2-22-17(21)13(10-18)9-14-6-7-15(23-14)11-4-3-5-12(8-11)16(19)20/h3-9H,2H2,1H3,(H,19,20)/b13-9+
InChIKey
BWECSMKPTHBPHG-UKTHLTGXSA-N
Synonyms

(Z)3(5(2cyano3ethoxy3oxoprop1en1yl)furan2yl)benzoicacid
3(5((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
3(5((E)2CYANO3ETHOXY3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CCOC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)O)C#N
CCOC(=O)C(=Cc1ccc(o1)c1cccc(c1)C(=O)O)C#N
InChI=1SC17H13NO5c122217(21)13(1018)9146715(2314)1143512(811)16(19)20h39H2H21H3(H1920)b139+
MFCD01828437
ZINC000004723445
ZINC4723445

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Available files

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