Vitas-M small molecule compound
3-carbamoyl-1-[2-(2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridinium
Catalog ID
STL059195
SMILES O=C1CCC(O1)(C)C(=O)C[n+]1cccc(c1)C(=O)N
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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 C13H15N2O4 MW 263.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O4/c1-13(5-4-11(17)19-13)10(16)8-15-6-2-3-9(7-15)12(14)18/h2-3,6-7H,4-5,8H2,1H3,(H-,14,18)/p+1InChIKey
XVEWSXZBEWVQBW-UHFFFAOYSA-OSynonyms
1(2(2METHYL5OXOOXOLAN2YL)2OXOETHYL)PYRIDIN1IUM3CARBOXAMIDE
3carbamoyl1(2(2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
3carbamoyl1(2(2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridinium
CC1(CCC(=O)O1)C(=O)C(N+)2=CC=CC(=C2)C(=O)N
InChI=1SC13H14N2O4c113(5411(17)1913)10(16)8156239(715)12(14)18h2367H458H21H3(H1418)p+1
O=C1CCC(O1)(C)C(=O)C(n+)1cccc(c1)C(=O)N
O=C1CCC(O1)(C)C(=O)C(n+)1cccc(c1)C(=O)N(Br)
ZINC000001820261
ZINC000001820262
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