Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylethanone

Catalog ID
STL102735
SMILES O=C(c1ccccc1)CN1CCN(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/c23-18(17-4-2-1-3-5-17)14-22-10-8-21(9-11-22)13-16-6-7-19-20(12-16)25-15-24-19/h1-7,12H,8-11,13-15H2
InChIKey
DRELNOHCQQXNON-UHFFFAOYSA-N
Synonyms

2(4(13benzodioxol5ylmethyl)piperazin1yl)1phenylethanone
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CC=CC=C4
InChI=1SC20H22N2O3c2318(174213517)142210821(91122)1316671920(1216)25152419h1712H8111315H2
MFCD20732473
ZINC000019369096
ZINC19369096

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Available files

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