Vitas-M small molecule compound
4-carbamoyl-1-(3,3-dimethyl-2-oxobutyl)pyridinium
Catalog ID
STL043298
SMILES O=C(C(C)(C)C)C[n+]1ccc(cc1)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 C12H17N2O2 MW 221.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O2/c1-12(2,3)10(15)8-14-6-4-9(5-7-14)11(13)16/h4-7H,8H2,1-3H3,(H-,13,16)/p+1InChIKey
XMHLTGNPDKHNHQ-UHFFFAOYSA-OSynonyms
1(33DIMETHYL2OXOBUTYL)PYRIDIN1IUM4CARBOXAMIDE
4carbamoyl1(33dimethyl2oxobutyl)pyridin1iumbromide
4carbamoyl1(33dimethyl2oxobutyl)pyridinium
CC(C)(C)C(=O)C(N+)1=CC=C(C=C1)C(=O)N
InChI=1SC12H16N2O2c112(23)10(15)814649(5714)11(13)16h47H8H213H3(H1316)p+1
O=C(C(C)(C)C)C(n+)1ccc(cc1)C(=O)N
O=C(C(C)(C)C)C(n+)1ccc(cc1)C(=O)N(Br)
ZINC000001825682
ZINC01825682
ZINC1825682
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