Vitas-M small molecule compound
3-carbamoyl-1-[2-(2-methyl-5-oxo-4-propyltetrahydrofuran-2-yl)-2-oxoethyl]pyridinium (non-preferred name)
Catalog ID
STK805139
SMILES CCCC1CC(OC1=O)(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 C16H21N2O4 MW 305.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O4/c1-3-5-11-8-16(2,22-15(11)21)13(19)10-18-7-4-6-12(9-18)14(17)20/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H-,17,20)/p+1InChIKey
MXEDMLHKHITQEU-UHFFFAOYSA-OSynonyms
1(2(2METHYL5OXO4PROPYLOXOLAN2YL)2OXOETHYL)PYRIDIN1IUM3CARBOXAMIDE
3CARBAMOYL1(2((2S4R)2METHYL5OXO4PROPYLTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
3carbamoyl1(2(2methyl5oxo4propyltetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
3carbamoyl1(2(2methyl5oxo4propyltetrahydrofuran2yl)2oxoethyl)pyridinium(nonpreferredname)
CCCC1CC(OC1=O)(C)C(=O)C(n+)1cccc(c1)C(=O)N
CCCC1CC(OC1=O)(C)C(=O)C(n+)1cccc(c1)C(=O)N(Br)
CCCC1CC(OC1=O)(C)C(=O)C(N+)2=CC=CC(=C2)C(=O)N
InChI=1SC16H20N2O4c13511816(22215(11)21)13(19)101874612(918)14(17)20h467911H35810H212H3(H1720)p+1
ZINC000002295359
ZINC000002295362
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