Vitas-M small molecule compound

3-ethoxy-3-oxo-1-phenylpropane-1-sulfonate

Catalog ID
STK381471
SMILES CCOC(=O)CC(S(=O)(=O)[O-])c1ccccc1

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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 C11H13O5S MW 257.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14O5S/c1-2-16-11(12)8-10(17(13,14)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14,15)/p-1
InChIKey
NJMMWIZPCQINFU-UHFFFAOYSA-M
Synonyms

3ethoxy3oxo1phenylpropane1sulfonate
CCOC(=O)CC(C1=CC=CC=C1)S(=O)(=O)(O)
CCOC(=O)CC(S(=O)(=O)(O))c1ccccc1
InChI=1SC11H14O5Sc121611(12)810(17(1314)15)9643579h3710H28H21H3(H131415)p1
MFCD11853210
ZINC000002980547
ZINC000002980548

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Available files

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