Vitas-M small molecule compound

2-methoxyethyl (2E)-2-cyano-3-(4-hydroxy-3-iodophenyl)prop-2-enoate

Catalog ID
STK061180
SMILES COCCOC(=O)/C(=C/c1ccc(c(c1)I)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 C13H12INO4 MW 373.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12INO4/c1-18-4-5-19-13(17)10(8-15)6-9-2-3-12(16)11(14)7-9/h2-3,6-7,16H,4-5H2,1H3/b10-6+
InChIKey
NQBSXBTXCXOSON-UXBLZVDNSA-N
Synonyms
444174-66-7
2METHOXYETHYL(2E)2CYANO3(4HYDROXY3IODOPHENYL)PROP2ENOATE
2METHOXYETHYL(E)2CYANO3(4HYDROXY3IODOPHENYL)PROP2ENOATE
444174667
COCCOC(=O)C(=CC1=CC(=C(C=C1)O)I)C#N
COCCOC(=O)C(=Cc1ccc(c(c1)I)O)C#N
InChI=1SC13H12INO4c118451913(17)10(815)692312(16)11(14)79h236716H45H21H3b106+
MFCD05625287
STK061180
ZINC000004544582
ZINC04544582
ZINC4544582

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Available files

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