Vitas-M small molecule compound

5-(azepan-1-ylmethyl)-2-hydroxy-3-{[4-(2-phenoxyethyl)piperazin-1-yl]methyl}-4H-pyran-4-one

Catalog ID
STL315570
SMILES Oc1occ(c(=O)c1CN1CCN(CC1)CCOc1ccccc1)CN1CCCCCC1

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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 C25H35N3O4 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N3O4/c29-24-21(18-27-10-6-1-2-7-11-27)20-32-25(30)23(24)19-28-14-12-26(13-15-28)16-17-31-22-8-4-3-5-9-22/h3-5,8-9,20,30H,1-2,6-7,10-19H2
InChIKey
LSVXSJVRRSHRMY-UHFFFAOYSA-N
Synonyms

5(azepan1ylmethyl)2hydroxy3((4(2phenoxyethyl)piperazin1yl)methyl)4Hpyran4one
MFCD22584989
ZINC000101373418

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Available files

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