Vitas-M small molecule compound

3,5-dibromo-1-[2-(4-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridinium (non-preferred name)

Catalog ID
STL147084
SMILES CCCCC1CC(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 C16H20Br2NO3 MW 434.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20Br2NO3/c1-3-4-5-11-7-16(2,22-15(11)21)14(20)10-19-8-12(17)6-13(18)9-19/h6,8-9,11H,3-5,7,10H2,1-2H3/q+1
InChIKey
FKJYQVALTNFPEO-UHFFFAOYSA-N
Synonyms

35DIBROMO1(2((2R4S)4BUTYL2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
35DIBROMO1(2((2S4R)4BUTYL2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
35DIBROMO1(2((2S4S)4BUTYL2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
35dibromo1(2(4butyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
35dibromo1(2(4butyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridinium(nonpreferredname)
3BUTYL5(2(35DIBROMOPYRIDIN1IUM1YL)ACETYL)5METHYLOXOLAN2ONE
5(2(35DIBROMOPYRIDYL)ACETYL)3BUTYL5METHYL345TRIHYDROFURAN2ONE
CCCCC1CC(OC1=O)(C)C(=O)C(n+)1cc(Br)cc(c1)Br
CCCCC1CC(OC1=O)(C)C(=O)C(n+)1cc(Br)cc(c1)Br(Br)
CCCCC1CC(OC1=O)(C)C(=O)C(N+)2=CC(=CC(=C2)Br)Br
InChI=1SC16H20Br2NO3c134511716(22215(11)21)14(20)1019812(17)613(18)919h68911H35710H212H3q+1
MFCD00698038
ZINC000002308884
ZINC000002308887

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Available files

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