Vitas-M small molecule compound

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

Catalog ID
STK143622
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)Cl)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 C35H29ClN4O5 MW 621.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29ClN4O5/c1-21-30(33(41)39(37-21)26-13-6-4-7-14-26)32(31-22(2)38-40(34(31)42)27-15-8-5-9-16-27)23-17-18-28(29(20-23)44-3)45-35(43)24-11-10-12-25(36)19-24/h4-20,32,41-42H,1-3H3
InChIKey
BUTCVZCYDQQPQJ-UHFFFAOYSA-N
Synonyms

4(bis(5hydroxy3methyl1phenyl1Hpyrazol4yl)methyl)2methoxyphenyl3chlorobenzoate
MFCD03289378
ZINC000101616367

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Available files

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