Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][2-(3-methylphenyl)quinolin-4-yl]methanone
Catalog ID
STK492857
SMILES Cc1cccc(c1)c1nc2ccccc2c(c1)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 C29H27N3O3 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3/c1-20-5-4-6-22(15-20)26-17-24(23-7-2-3-8-25(23)30-26)29(33)32-13-11-31(12-14-32)18-21-9-10-27-28(16-21)35-19-34-27/h2-10,15-17H,11-14,18-19H2,1H3InChIKey
CEPHYROSCISWST-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(2(3methylphenyl)quinolin4yl)methanone
4((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)CARBONYL)2(3METHYLPHENYL)QUINOLINE
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL2(3METHYLPHENYL)(4QUINOLYL)KETONE
CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC29H27N3O3c12054622(1520)261724(23723825(23)3026)29(33)32131131(121432)18219102728(1621)35193427h2101517H11141819H21H3
MFCD03396513
ZINC000013893605
ZINC13893605
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