Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
Catalog ID
STK425354
SMILES COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)Br
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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 C29H26BrN3O4 MW 560.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3O4/c1-35-22-6-3-20(4-7-22)26-16-24(23-15-21(30)5-8-25(23)31-26)29(34)33-12-10-32(11-13-33)17-19-2-9-27-28(14-19)37-18-36-27/h2-9,14-16H,10-13,17-18H2,1H3InChIKey
NWOVIAPDVOTLMI-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(6bromo2(4methoxyphenyl)quinolin4yl)methanone
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL6BROMO2(4METHOXYPHENYL)(4QUINOLYL)KETONE
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC29H26BrN3O4c135226320(4722)261624(231521(30)5825(23)3126)29(34)33121032(111333)1719292728(1419)37183627h291416H10131718H21H3
MFCD02375357
ZINC000097948265
ZINC97948265
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