Vitas-M small molecule compound
[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl][4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone
Catalog ID
STK479689
SMILES Brc1ccc2c(c1)c(cc(n2)c1ccc(c(c1)C)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 C32H36BrN3O MW 558.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36BrN3O/c1-20-3-4-25(11-21(20)2)30-16-28(27-15-26(33)5-6-29(27)34-30)31(37)35-7-9-36(10-8-35)32-17-22-12-23(18-32)14-24(13-22)19-32/h3-6,11,15-16,22-24H,7-10,12-14,17-19H2,1-2H3InChIKey
MFDIHAAJGFORRC-UHFFFAOYSA-NSynonyms
(4(1adamantyl)piperazin1yl)(6bromo2(34dimethylphenyl)quinolin4yl)methanone
(6bromo2(34dimethylphenyl)quinolin4yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
4ADAMANTANYLPIPERAZINYL2(34DIMETHYLPHENYL)6BROMO(4QUINOLYL)KETONE
CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6)C
InChI=1SC32H36BrN3Oc1203425(1121(20)2)301628(271526(33)5629(27)3430)31(37)357936(10835)3217221223(1832)1424(1322)1932h361115162224H71012141719H212H3
ZINC000097949328
ZINC97949328
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