Vitas-M small molecule compound

3-bromo-1-{2-[4-(ethoxycarbonyl)-4-ethyl-2-methyl-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium (non-preferred name)

Catalog ID
STL296660
SMILES CCOC(=O)C1(CC)CC(OC1=O)(C)C(=O)C[n+]1cccc(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 C17H21BrNO5 MW 399.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21BrNO5/c1-4-17(14(21)23-5-2)11-16(3,24-15(17)22)13(20)10-19-8-6-7-12(18)9-19/h6-9H,4-5,10-11H2,1-3H3/q+1
InChIKey
NUYOWYQYJOZWTG-UHFFFAOYSA-N
Synonyms

3BROMO1(2((2R4R)4(ETHOXYCARBONYL)4ETHYL2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
3BROMO1(2((2R4S)4(ETHOXYCARBONYL)4ETHYL2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
3bromo1(2(4(ethoxycarbonyl)4ethyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
3bromo1(2(4(ethoxycarbonyl)4ethyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridinium(nonpreferredname)
CCC1(CC(OC1=O)(C)C(=O)C(N+)2=CC=CC(=C2)Br)C(=O)OCC
CCOC(=O)C1(CC)CC(OC1=O)(C)C(=O)C(n+)1cccc(c1)Br
CCOC(=O)C1(CC)CC(OC1=O)(C)C(=O)C(n+)1cccc(c1)Br(Br)
ETHYL5(2(3BROMOPYRIDIN1IUM1YL)ACETYL)3ETHYL5METHYL2OXOOXOLANE3CARBOXYLATE
ETHYL5(2(3BROMOPYRIDYL)ACETYL)3ETHYL5METHYL2OXO345TRIHYDROFURAN3CARBOXYLATE
InChI=1SC17H21BrNO5c1417(14(21)2352)1116(32415(17)22)13(20)101986712(18)919h69H451011H213H3q+1
MFCD00698044
ZINC000001782777
ZINC000001782784

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Available files

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