Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][6-bromo-2-(3-methylphenyl)quinolin-4-yl]methanone
Catalog ID
STK429800
SMILES Brc1ccc2c(c1)c(cc(n2)c1cccc(c1)C)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 C29H26BrN3O3 MW 544.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3O3/c1-19-3-2-4-21(13-19)26-16-24(23-15-22(30)6-7-25(23)31-26)29(34)33-11-9-32(10-12-33)17-20-5-8-27-28(14-20)36-18-35-27/h2-8,13-16H,9-12,17-18H2,1H3InChIKey
XDKWNVUVBNHOFK-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(6bromo2(3methylphenyl)quinolin4yl)methanone
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL6BROMO2(3METHYLPHENYL)(4QUINOLYL)KETONE
CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC29H26BrN3O3c11932421(1319)261624(231522(30)6725(23)3126)29(34)3311932(101233)1720582728(1420)36183527h281316H9121718H21H3
MFCD03233388
ZINC000097947865
ZINC97947865
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