Vitas-M small molecule compound

4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate

Catalog ID
STK244772
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(c1c(C)nn(c1O)c1ccccc1)c1c(C)nn(c1O)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 C35H32N4O6S MW 636.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32N4O6S/c1-22-15-18-28(19-16-22)46(42,43)45-29-20-17-25(21-30(29)44-4)33(31-23(2)36-38(34(31)40)26-11-7-5-8-12-26)32-24(3)37-39(35(32)41)27-13-9-6-10-14-27/h5-21,33,40-41H,1-4H3
InChIKey
BMJPRRVCZXSVKZ-UHFFFAOYSA-N
Synonyms

4(bis(5hydroxy3methyl1phenyl1Hpyrazol4yl)methyl)2methoxyphenyl4methylbenzenesulfonate
MFCD03294857
ZINC000150454702

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Available files

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