Vitas-M small molecule compound
3,5-dibromo-1-[2-(2-methyl-5-oxo-4-propyltetrahydrofuran-2-yl)-2-oxoethyl]pyridinium (non-preferred name)
Catalog ID
STL059251
SMILES CCCC1CC(OC1=O)(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 C15H18Br2NO3 MW 420.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18Br2NO3/c1-3-4-10-6-15(2,21-14(10)20)13(19)9-18-7-11(16)5-12(17)8-18/h5,7-8,10H,3-4,6,9H2,1-2H3/q+1InChIKey
CCCNVBSOVRUAME-UHFFFAOYSA-NSynonyms
35dibromo1(2(2methyl5oxo4propyltetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
35dibromo1(2(2methyl5oxo4propyltetrahydrofuran2yl)2oxoethyl)pyridinium(nonpreferredname)
5(2(35DIBROMOPYRIDIN1IUM1YL)ACETYL)5METHYL3PROPYLOXOLAN2ONE
CCCC1CC(OC1=O)(C)C(=O)C(n+)1cc(Br)cc(c1)Br
CCCC1CC(OC1=O)(C)C(=O)C(n+)1cc(Br)cc(c1)Br(Br)
CCCC1CC(OC1=O)(C)C(=O)C(N+)2=CC(=CC(=C2)Br)Br
InChI=1SC15H18Br2NO3c13410615(22114(10)20)13(19)918711(16)512(17)818h57810H3469H212H3q+1
ZINC000001827457
ZINC000001827460
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