Vitas-M small molecule compound
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl][4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Catalog ID
STK445984
SMILES O=C(c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)N1CCN(CC1)c1cccc(c1C)C
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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/c1-19-6-5-9-26(20(19)2)31-12-14-32(15-13-31)29(33)23-17-25(30-24-8-4-3-7-22(23)24)21-10-11-27-28(16-21)35-18-34-27/h3-11,16-17H,12-15,18H2,1-2H3InChIKey
JNCDZRQLWCISDU-UHFFFAOYSA-NSynonyms
(2(13benzodioxol5yl)quinolin4yl)(4(23dimethylphenyl)piperazin1yl)methanone
2(2HBENZO(34D)13DIOXOLAN5YL)(4QUINOLYL)4(23DIMETHYLPHENYL)PIPERAZINYLKETONE
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)C
InChI=1SC29H27N3O3c11965926(20(19)2)31121432(151331)29(33)231725(3024843722(23)24)2110112728(1621)35183427h3111617H121518H212H3
MFCD02054593
ZINC000020417723
ZINC20417723
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