Vitas-M small molecule compound

methyl 3-[({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)methyl]benzoate

Catalog ID
STL317271
SMILES COC(=O)c1cccc(c1)COc1coc(cc1=O)CN1CCN(CC1)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 C25H26N2O5 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5/c1-30-25(29)20-7-5-6-19(14-20)17-32-24-18-31-22(15-23(24)28)16-26-10-12-27(13-11-26)21-8-3-2-4-9-21/h2-9,14-15,18H,10-13,16-17H2,1H3
InChIKey
YNKRMWVFBXUGQT-UHFFFAOYSA-N
Synonyms
1401537-39-0
1401537390
COC(=O)C1=CC(=CC=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4
InChI=1SC25H26N2O5c13025(29)2075619(1420)173224183122(1523(24)28)1626101227(131126)218324921h29141518H10131617H21H3
methyl3(((4oxo6((4phenylpiperazin1yl)methyl)4Hpyran3yl)oxy)methyl)benzoate
methyl3((4oxo6((4phenylpiperazin1yl)methyl)pyran3yl)oxymethyl)benzoate
MFCD22582881
ZINC000079479584
ZINC79479584

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Available files

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