Vitas-M small molecule compound
1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-{[2,2,4-trimethyl-1-(phenylcarbonyl)-1,2-dihydroquinolin-6-yl]oxy}ethanone
Catalog ID
STL436294
SMILES O=C(N1CCN(CC1)c1ncccn1)COc1ccc2c(c1)C(=CC(N2C(=O)c1ccccc1)(C)C)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 C29H31N5O3 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3/c1-21-19-29(2,3)34(27(36)22-8-5-4-6-9-22)25-11-10-23(18-24(21)25)37-20-26(35)32-14-16-33(17-15-32)28-30-12-7-13-31-28/h4-13,18-19H,14-17,20H2,1-3H3InChIKey
BROKWSBMJMFIRB-UHFFFAOYSA-NSynonyms
1(4(pyrimidin2yl)piperazin1yl)2((224trimethyl1(phenylcarbonyl)12dihydroquinolin6yl)oxy)ethanone
2(1benzoyl224trimethylquinolin6yl)oxy1(4pyrimidin2ylpiperazin1yl)ethanone
CC1=CC(N(C2=C1C=C(C=C2)OCC(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)C5=CC=CC=C5)(C)C
InChI=1SC29H31N5O3c1211929(23)34(27(36)228546922)25111023(1824(21)25)372026(35)32141633(171532)2830127133128h4131819H141720H213H3
MFCD30711936
ZINC000226075032
ZINC226075032
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