Vitas-M small molecule compound
[6-bromo-2-(3-methylphenyl)quinolin-4-yl][4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone
Catalog ID
STK479885
SMILES Brc1ccc2c(c1)c(cc(n2)c1cccc(c1)C)C(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
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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 C31H34BrN3O MW 544.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34BrN3O/c1-20-3-2-4-24(11-20)29-16-27(26-15-25(32)5-6-28(26)33-29)30(36)34-7-9-35(10-8-34)31-17-21-12-22(18-31)14-23(13-21)19-31/h2-6,11,15-16,21-23H,7-10,12-14,17-19H2,1H3InChIKey
XKEPNIAQVZPHRY-UHFFFAOYSA-NSynonyms
(4(1adamantyl)piperazin1yl)(6bromo2(3methylphenyl)quinolin4yl)methanone
(6bromo2(3methylphenyl)quinolin4yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
4ADAMANTANYLPIPERAZINYL6BROMO2(3METHYLPHENYL)(4QUINOLYL)KETONE
CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6
InChI=1SC31H34BrN3Oc12032424(1120)291627(261525(32)5628(26)3329)30(36)347935(10834)3117211222(1831)1423(1321)1931h261115162123H71012141719H21H3
ZINC000097949331
ZINC97949331
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