Vitas-M small molecule compound
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-bromo-4-methylphenoxy)ethanone
Catalog ID
STK225398
SMILES Cc1ccc(c(c1)Br)OCC(=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 C21H23BrN2O4 MW 447.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O4/c1-15-2-4-18(17(22)10-15)26-13-21(25)24-8-6-23(7-9-24)12-16-3-5-19-20(11-16)28-14-27-19/h2-5,10-11H,6-9,12-14H2,1H3InChIKey
YPOBGXRDBVWDJQ-UHFFFAOYSA-NSynonyms
1(4(13benzodioxol5ylmethyl)piperazin1yl)2(2bromo4methylphenoxy)ethanone
CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br
InChI=1SC21H23BrN2O4c1152418(17(22)1015)261321(25)248623(7924)1216351920(1116)28142719h251011H691214H21H3
MFCD03718544
ZINC000013838686
ZINC13838686
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