Vitas-M small molecule compound

4,4'-[(5-chloro-2-hydroxyphenyl)methanediyl]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)

Catalog ID
STL507523
SMILES Clc1ccc(c(c1)C(C1C(=NN(C1=O)c1ccccc1)C)C1C(=NN(C1=O)c1ccccc1)C)O

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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 C27H23ClN4O3 MW 486.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O3/c1-16-23(26(34)31(29-16)19-9-5-3-6-10-19)25(21-15-18(28)13-14-22(21)33)24-17(2)30-32(27(24)35)20-11-7-4-8-12-20/h3-15,23-25,33H,1-2H3
InChIKey
KZFJTDZELZDZFF-UHFFFAOYSA-N
Synonyms

132452300
4((5chloro2hydroxyphenyl)(3methyl5oxo1phenyl4~(H)pyrazol4yl)methyl)5methyl2phenyl4~(H)pyrazol3one
44((5chloro2hydroxyphenyl)methanediyl)bis(5methyl2phenyl24dihydro3Hpyrazol3one)
InChI=1SC27H23ClN4O3c11623(26(34)31(2916)1995361019)25(211518(28)131422(21)33)2417(2)3032(27(24)35)20117481220h315232533H12H3
MFCD31615226
ZINC001505840523
ZINC001505840525

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Available files

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