Vitas-M small molecule compound
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(thiophen-2-ylcarbonyl)-1-azoniabicyclo[2.2.2]octane
Catalog ID
STK862443
SMILES Brc1ccc(cc1)C(=O)C[N+]12CCC(CC1)C(C2)C(=O)c1cccs1
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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 C20H21BrNO2S MW 419.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrNO2S/c21-16-5-3-15(4-6-16)18(23)13-22-9-7-14(8-10-22)17(12-22)20(24)19-2-1-11-25-19/h1-6,11,14,17H,7-10,12-13H2/q+1InChIKey
ZREYBLRGFZCFAB-UHFFFAOYSA-NSynonyms
(3R)1(2(4BROMOPHENYL)2OXOETHYL)3(THIOPHEN2YLCARBONYL)1AZONIABICYCLO(222)OCTANE
1(2(4bromophenyl)2oxoethyl)3(thiophen2ylcarbonyl)1azoniabicyclo(222)octane
1(2(4bromophenyl)2oxoethyl)3(thiophene2carbonyl)quinuclidin1iumbromide
1(4BROMOPHENYL)2(3(THIOPHENE2CARBONYL)1AZONIABICYCLO(222)OCTAN1YL)ETHANONE
Brc1ccc(cc1)C(=O)C(N+)12CCC(CC1)C(C2)C(=O)c1cccs1
Brc1ccc(cc1)C(=O)C(N+)12CCC(CC1)C(C2)C(=O)c1cccs1(Br)
C1C(N+)2(CCC1C(C2)C(=O)C3=CC=CS3)CC(=O)C4=CC=C(C=C4)Br
InChI=1SC20H21BrNO2Sc21165315(4616)18(23)13229714(81022)17(1222)20(24)1921112519h16111417H7101213H2q+1
ZINC000001788724
ZINC000001788726
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