Vitas-M small molecule compound
5-{[(3S)-3-amino-3-carboxypropyl](methyl)sulfonio}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL565000
SMILES N[C@H](C(=O)O)CC[S+](c1c([O-])n(C)c(=O)n(c1=O)C)C
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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 C11H17N3O5S MW 303.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H17N3O5S/c1-13-8(15)7(9(16)14(2)11(13)19)20(3)5-4-6(12)10(17)18/h6H,4-5,12H2,1-3H3,(H-,15,16,17,18)/t6-,20?/m0/s1InChIKey
QPYWDEBBLFBZMU-NUMTUQHPSA-NSynonyms
(2S)2amino4((4hydroxy13dimethyl26dioxopyrimidin5yl)methylsulfonio)butanoate
131664879
5(((3S)3amino3carboxypropyl)(methyl)sulfonio)13dimethyl26dioxo1236tetrahydropyrimidin4olate
5(((S)3amino3carboxypropyl)(methyl)sulfonio)13dimethyl26dioxo1236tetrahydropyrimidin4olate
InChI=1SC11H17N3O5Sc1138(15)7(9(16)14(2)11(13)19)20(3)546(12)10(17)18h6H4512H213H3(H15161718)t620?m0s1
MFCD32651625
N(C@H)(C(=O)O)CC(S+)(c1c((O))n(C)c(=O)n(c1=O)C)C
ZINC000004046404
ZINC000004046408
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