Vitas-M small molecule compound

3-ethoxy-5-iodo-4-propoxybenzoic acid

Catalog ID
STL417460
SMILES CCCOc1c(I)cc(cc1OCC)C(=O)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 C12H15IO4 MW 350.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15IO4/c1-3-5-17-11-9(13)6-8(12(14)15)7-10(11)16-4-2/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKey
SPKVRICYCNCTMC-UHFFFAOYSA-N
Synonyms
723245-46-3
3ethoxy5iodo4propoxybenzoicacid
723245463
CCCOC1=C(C=C(C=C1I)C(=O)O)OCC
InChI=1SC12H15IO4c13517119(13)68(12(14)15)710(11)1642h67H35H212H3(H1415)
MFCD05739844
ZINC000004419140
ZINC4419140

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Available files

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