Vitas-M small molecule compound

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

Catalog ID
STL311010
SMILES COC(=O)c1ccc(cc1)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)20-9-7-19(8-10-20)17-32-24-18-31-22(15-23(24)28)16-26-11-13-27(14-12-26)21-5-3-2-4-6-21/h2-10,15,18H,11-14,16-17H2,1H3
InChIKey
ZYIAMPNFJPHYPE-UHFFFAOYSA-N
Synonyms
898420-70-7
898420707
COC(=O)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4
InChI=1SC25H26N2O5c13025(29)209719(81020)173224183122(1523(24)28)1626111327(141226)215324621h2101518H11141617H21H3
methyl4(((4oxo6((4phenylpiperazin1yl)methyl)4Hpyran3yl)oxy)methyl)benzoate
methyl4((4oxo6((4phenylpiperazin1yl)methyl)pyran3yl)oxymethyl)benzoate
MFCD07647038
ZINC000056949945
ZINC56949945

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Available files

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