Vitas-M small molecule compound

3-[(4-benzylpiperazin-1-yl)methyl]-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-hydroxy-4H-pyran-4-one

Catalog ID
STL314403
SMILES Oc1occ(c(=O)c1CN1CCN(CC1)Cc1ccccc1)CN1CCc2c(C1)cccc2

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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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c31-26-24(18-30-11-10-22-8-4-5-9-23(22)17-30)20-33-27(32)25(26)19-29-14-12-28(13-15-29)16-21-6-2-1-3-7-21/h1-9,20,32H,10-19H2
InChIKey
XCCJCKMXZCBKIW-UHFFFAOYSA-N
Synonyms

3((4benzylpiperazin1yl)methyl)5((34dihydroisoquinolin2(1H)yl)methyl)2hydroxy4Hpyran4one
3((4benzylpiperazin1yl)methyl)5(34dihydroisoquinolin2(1H)ylmethyl)2hydroxy4Hpyran4one
MFCD22584912
ZINC000101412515

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Available files

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