Vitas-M small molecule compound
3,5-dibromo-1-{2-[4-butyl-4-(ethoxycarbonyl)-2-methyl-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium (non-preferred name)
Catalog ID
STL003782
SMILES CCCCC1(CC(OC1=O)(C)C(=O)C[n+]1cc(Br)cc(c1)Br)C(=O)OCC
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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 C19H24Br2NO5 MW 506.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24Br2NO5/c1-4-6-7-19(16(24)26-5-2)12-18(3,27-17(19)25)15(23)11-22-9-13(20)8-14(21)10-22/h8-10H,4-7,11-12H2,1-3H3/q+1InChIKey
SLVCBTGOQZPHTO-UHFFFAOYSA-NSynonyms
35DIBROMO1(2((2R4R)4BUTYL4(ETHOXYCARBONYL)2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
35DIBROMO1(2((2S4S)4BUTYL4(ETHOXYCARBONYL)2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
35dibromo1(2(4butyl4(ethoxycarbonyl)2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
35dibromo1(2(4butyl4(ethoxycarbonyl)2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridinium(nonpreferredname)
CCCCC1(CC(OC1=O)(C)C(=O)C(n+)1cc(Br)cc(c1)Br)C(=O)OCC
CCCCC1(CC(OC1=O)(C)C(=O)C(n+)1cc(Br)cc(c1)Br)C(=O)OCC(Br)
CCCCC1(CC(OC1=O)(C)C(=O)C(N+)2=CC(=CC(=C2)Br)Br)C(=O)OCC
ETHYL3BUTYL5(2(35DIBROMOPYRIDIN1IUM1YL)ACETYL)5METHYL2OXOOXOLANE3CARBOXYLATE
ETHYL5(2(35DIBROMOPYRIDYL)ACETYL)3BUTYL5METHYL2OXO345TRIHYDROFURAN3CARBOXYLATE
InChI=1SC19H24Br2NO5c146719(16(24)2652)1218(32717(19)25)15(23)1122913(20)814(21)1022h810H471112H213H3q+1
MFCD00698039
ZINC000001787083
ZINC000001787090
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