Vitas-M small molecule compound
1-[2-(4-bromophenyl)-2-oxoethyl]-3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane
Catalog ID
STK697940
SMILES Brc1ccc(cc1)C(=O)C[N+]12CCC(CC1)C(C2)C(c1ccccc1)(c1ccccc1)O
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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 C28H29BrNO2 MW 491.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrNO2/c29-25-13-11-22(12-14-25)27(31)20-30-17-15-21(16-18-30)26(19-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,32H,15-20H2/q+1InChIKey
JHQFDHSPOYHZMH-UHFFFAOYSA-NSynonyms
(3R)1(2(4BROMOPHENYL)2OXOETHYL)3(HYDROXY(DIPHENYL)METHYL)1AZONIABICYCLO(222)OCTANE
1(2(4bromophenyl)2oxoethyl)3(hydroxy(diphenyl)methyl)1azoniabicyclo(222)octane
1(4BROMOPHENYL)2(3(HYDROXY(DIPHENYL)METHYL)1AZONIABICYCLO(222)OCTAN1YL)ETHANONE
Brc1ccc(cc1)C(=O)C(N+)12CCC(CC1)C(C2)C(c1ccccc1)(c1ccccc1)O
C1C(N+)2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)C5=CC=C(C=C5)Br
InChI=1SC28H29BrNO2c2925131122(121425)27(31)2030171521(161830)26(1930)28(32237314823)2495261024h114212632H1520H2q+1
MFCD02934909
ZINC000001895913
ZINC000001895915
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