Vitas-M small molecule compound
[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl][4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
Catalog ID
STK426051
SMILES Brc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C(C)(C)C)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
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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 C31H31BrClN3O MW 576.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrClN3O/c1-20-5-11-24(33)18-29(20)35-13-15-36(16-14-35)30(37)26-19-28(34-27-12-10-23(32)17-25(26)27)21-6-8-22(9-7-21)31(2,3)4/h5-12,17-19H,13-16H2,1-4H3InChIKey
PEECBPGELQPOSJ-UHFFFAOYSA-NSynonyms
(6bromo2(4tertbutylphenyl)quinolin4yl)(4(5chloro2methylphenyl)piperazin1yl)methanone
2(4(TERTBUTYL)PHENYL)6BROMO(4QUINOLYL)4(5CHLORO2METHYLPHENYL)PIPERAZINYLKETONE
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC31H31BrClN3Oc12051124(33)1829(20)35131536(161435)30(37)261928(3427121023(32)1725(26)27)216822(9721)31(23)4h5121719H1316H214H3
MFCD02608410
ZINC000097948517
ZINC97948517
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