Vitas-M small molecule compound
3-(diphenylmethylidene)-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane
Catalog ID
STK697905
SMILES O=C(c1ccc(cc1)[N+](=O)[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 C28H27N2O3 MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N2O3/c31-27(22-11-13-25(14-12-22)29(32)33)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
TUJIQZRVPNYQGV-UHFFFAOYSA-NSynonyms
(1r4r)3(diphenylmethylene)1(2(4nitrophenyl)2oxoethyl)quinuclidin1iumbromide
2(3BENZHYDRYLIDENE1AZONIABICYCLO(222)OCTAN1YL)1(4NITROPHENYL)ETHANONE
3(diphenylmethylidene)1(2(4nitrophenyl)2oxoethyl)1azoniabicyclo(222)octane
C1C(N+)2(CCC1C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2)CC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC28H27N2O3c3127(22111325(141222)29(32)33)2030171521(161830)26(1930)28(237314823)2495261024h11421H1520H2q+1
MFCD02932709
O=C(c1ccc(cc1)(N+)(=O)(O))C(N@+)12CC(C@H)(CC1)C(=C(c1ccccc1)c1ccccc1)C2(Br)
O=C(c1ccc(cc1)(N+)(=O)(O))C(N+)12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2
ZINC000001831268
ZINC01831268
ZINC1831268
Check stock
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Check stock on Vitas-MAvailable files
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