Vitas-M small molecule compound

5-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid

Catalog ID
STK051759
SMILES CCc1c(C)nn(c1O)c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1

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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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-3-15-12(2)19-20(18(15)21)13-9-10-16(17(11-13)26(22,23)24)25-14-7-5-4-6-8-14/h4-11,21H,3H2,1-2H3,(H,22,23,24)
InChIKey
ZBDIRISBDAGLNM-UHFFFAOYSA-N
Synonyms

5(4ethyl5hydroxy3methyl1Hpyrazol1yl)2phenoxybenzenesulfonicacid
CCc1c(C)nn(c1O)c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1
MFCD00622180
STK051759
ZINC000018106946

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Available files

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