Vitas-M small molecule compound

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

Catalog ID
STK143668
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1Cl)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 C36H31ClN4O5 MW 635.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31ClN4O5/c1-4-45-30-21-24(19-20-29(30)46-36(44)27-17-11-12-18-28(27)37)33(31-22(2)38-40(34(31)42)25-13-7-5-8-14-25)32-23(3)39-41(35(32)43)26-15-9-6-10-16-26/h5-21,33,42-43H,4H2,1-3H3
InChIKey
FCKFGPVYXXOYCC-UHFFFAOYSA-N
Synonyms

4(bis(5hydroxy3methyl1phenyl1Hpyrazol4yl)methyl)2ethoxyphenyl2chlorobenzoate
MFCD01963904
ZINC000150436643

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Available files

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