Vitas-M small molecule compound

2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-bromophenol

Catalog ID
STK386662
SMILES Brc1ccc(c(c1)CN1CCN(CC1)Cc1ccc2c(c1)OCO2)O

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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 C19H21BrN2O3 MW 405.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN2O3/c20-16-2-3-17(23)15(10-16)12-22-7-5-21(6-8-22)11-14-1-4-18-19(9-14)25-13-24-18/h1-4,9-10,23H,5-8,11-13H2
InChIKey
RVOVMAFDZCKQOX-UHFFFAOYSA-N
Synonyms

2((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)4BROMOPHENOL
2((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)METHYL)4BROMOPHENOL
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC(=C4)Br)O
InChI=1SC19H21BrN2O3c20162317(23)15(1016)12227521(6822)1114141819(914)25132418h1491023H581113H2
MFCD02374906
ZINC000019808890
ZINC19808890

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Available files

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