Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-methylphenyl)methanone

Catalog ID
STK062829
SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C20H22N2O3 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3/c1-15-2-5-17(6-3-15)20(23)22-10-8-21(9-11-22)13-16-4-7-18-19(12-16)25-14-24-18/h2-7,12H,8-11,13-14H2,1H3
InChIKey
QLEJIPPPJVEACG-UHFFFAOYSA-N
Synonyms
349613-67-8
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(4METHYLPHENYL)METHANONE
(4(13BENZODIOXOL5YLMETHYL)PIPERAZINO)(4METHYLPHENYL)METHANONE
(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)(PTOLYL)METHANONE
(4BENZO(13)DIOXOL5YLMETHYLPIPERAZIN1YL)PTOLYLMETHANONE
1(13BENZODIOXOL5YLMETHYL)4(4METHYLBENZOYL)PIPERAZINE
349613678
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL4METHYLPHENYLKETONE
CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
Cc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC20H22N2O3c1152517(6315)20(23)2210821(91122)1316471819(1216)25142418h2712H8111314H21H3
MFCD00833166
STK062829
ZINC000019866265
ZINC19866265

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Available files

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