Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide

Catalog ID
STK150901
SMILES COc1ccccc1N1CCN(CC1)C(=O)CC(CC(=O)NCc1ccc2c(c1)OCO2)C

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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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-18(13-24(29)26-16-19-7-8-22-23(15-19)33-17-32-22)14-25(30)28-11-9-27(10-12-28)20-5-3-4-6-21(20)31-2/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,26,29)
InChIKey
ZXEIDAGAKNUEMI-UHFFFAOYSA-N
Synonyms

CC(CC(=O)NCC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC
InChI=1SC25H31N3O5c118(1324(29)261619782223(1519)33173222)1425(30)2811927(101228)20534621(20)312h381518H9141617H212H3(H2629)
MFCD04343076
N(13BENZODIOXOL5YLMETHYL)5(4(2METHOXYPHENYL)PIPERAZIN1YL)3METHYL5OXOPENTANAMIDE
ZINC000009720542
ZINC000009721021

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Available files

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