Vitas-M small molecule compound

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

Catalog ID
STK222966
SMILES Brc1ccc(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 C19H19BrN2O3 MW 403.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN2O3/c20-16-4-2-15(3-5-16)19(23)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2
InChIKey
AFDYLRLKLZXSPM-UHFFFAOYSA-N
Synonyms
349613-41-8
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(4BROMOPHENYL)METHANONE
(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)(4BROMOPHENYL)METHANONE
349613418
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Br
InChI=1SC19H19BrN2O3c20164215(3516)19(23)229721(81022)1214161718(1114)25132417h1611H7101213H2
MFCD01835452
ZINC000019913953
ZINC19913953

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Available files

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