Vitas-M small molecule compound

propyl 4-[(5-{4-[(2,5-dimethylbenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate

Catalog ID
STK574534
SMILES CCCOC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1cc(C)ccc1C

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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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-4-13-33-28(32)20-7-9-22(10-8-20)35-26-16-29-30-27(26)24-12-11-23(15-25(24)31)34-17-21-14-18(2)5-6-19(21)3/h5-12,14-16,31H,4,13,17H2,1-3H3,(H,29,30)
InChIKey
HFHUNMVBPPJDLI-UHFFFAOYSA-N
Synonyms
879438-35-4
879438354
CCCOC(=O)c1ccc(cc1)Oc1c(nH)nc1c1ccc(cc1O)OCc1cc(C)ccc1C
CCCOC(=O)c1ccc(cc1)Oc1cn(nH)c1c1ccc(cc1O)OCc1cc(C)ccc1C
MFCD07201185
propyl4((3(4((25dimethylbenzyl)oxy)2hydroxyphenyl)1Hpyrazol4yl)oxy)benzoate
propyl4((5(4((25dimethylbenzyl)oxy)2hydroxyphenyl)1Hpyrazol4yl)oxy)benzoate
ZINC000009187645

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Available files

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