Vitas-M small molecule compound

2-{[3-ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid

Catalog ID
STK379778
SMILES CCOC(=O)C(=CNc1ccccc1C(=O)O)C(=O)OCC

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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 C15H17NO6 MW 307.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17NO6/c1-3-21-14(19)11(15(20)22-4-2)9-16-12-8-6-5-7-10(12)13(17)18/h5-9,16H,3-4H2,1-2H3,(H,17,18)
InChIKey
MAMJBXGYXOFBEH-UHFFFAOYSA-N
Synonyms
52693-18-2
2((22BIS(ETHOXYCARBONYL)VINYL)AMINO)BENZOICACID
2((3ethoxy2(ethoxycarbonyl)3oxoprop1en1yl)amino)benzoicacid
2((3ETHOXY2ETHOXYCARBONYL3OXOPROP1ENYL)AMINO)BENZOICACID
52693182
CCOC(=O)C(=CNC1=CC=CC=C1C(=O)O)C(=O)OCC
InChI=1SC15H17NO6c132114(19)11(15(20)2242)91612865710(12)13(17)18h5916H34H212H3(H1718)
MFCD02081806
ZINC000001780080
ZINC1780080

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Available files

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