Vitas-M small molecule compound
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(diphenylmethylidene)-1-azoniabicyclo[2.2.2]octane
Catalog ID
STK697904
SMILES Brc1ccc(cc1)C(=O)C[N+]12CCC(CC1)/C(=C(/c1ccccc1)\c1ccccc1)/C2
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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 C28H27BrNO MW 473.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrNO/c29-25-13-11-22(12-14-25)27(31)20-30-17-15-21(16-18-30)26(19-30)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21H,15-20H2/q+1InChIKey
ACAPVJTWPOZMOW-UHFFFAOYSA-NSynonyms
(1r4r)1(2(4bromophenyl)2oxoethyl)3(diphenylmethylene)quinuclidin1iumbromide
1(2(4BROMOPHENYL)2OXOETHYL)3(DIPHENYLMETHYLIDENE)1AZONIABICYCLO(222)OCTANE
2(3BENZHYDRYLIDENE1AZONIABICYCLO(222)OCTAN1YL)1(4BROMOPHENYL)ETHANONE
Brc1ccc(cc1)C(=O)C(N@+)12CC(C@H)(CC1)C(=C(c1ccccc1)c1ccccc1)C2(Br)
Brc1ccc(cc1)C(=O)C(N+)12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2
C1C(N+)2(CCC1C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2)CC(=O)C5=CC=C(C=C5)Br
InChI=1SC28H27BrNOc2925131122(121425)27(31)2030171521(161830)26(1930)28(237314823)2495261024h11421H1520H2q+1
ZINC000002336606
ZINC02336606
ZINC2336606
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