Vitas-M small molecule compound
3,5-dibromo-1-[2-(3-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridinium (non-preferred name)
Catalog ID
STL147026
SMILES CCCCC1CC(=O)OC1(C)C(=O)C[n+]1cc(Br)cc(c1)Br
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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 C16H20Br2NO3 MW 434.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20Br2NO3/c1-3-4-5-11-6-15(21)22-16(11,2)14(20)10-19-8-12(17)7-13(18)9-19/h7-9,11H,3-6,10H2,1-2H3/q+1InChIKey
OEVAQCVDGBUIEX-UHFFFAOYSA-NSynonyms
35dibromo1(2(3butyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
35dibromo1(2(3butyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridinium(nonpreferredname)
4BUTYL5(2(35DIBROMOPYRIDIN1IUM1YL)ACETYL)5METHYLOXOLAN2ONE
CCCCC1CC(=O)OC1(C)C(=O)C(n+)1cc(Br)cc(c1)Br
CCCCC1CC(=O)OC1(C)C(=O)C(n+)1cc(Br)cc(c1)Br(Br)
CCCCC1CC(=O)OC1(C)C(=O)C(N+)2=CC(=CC(=C2)Br)Br
InChI=1SC16H20Br2NO3c134511615(21)2216(112)14(20)1019812(17)713(18)919h7911H3610H212H3q+1
MFCD01553769
ZINC000001867920
ZINC000001867923
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