Vitas-M small molecule compound
N-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-L-valine
Catalog ID
STL534180
SMILES OCc1cc(=O)c(c(o1)CN[C@H](C(=O)O)C(C)C)O
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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 C12H17NO6 MW 271.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17NO6/c1-6(2)10(12(17)18)13-4-9-11(16)8(15)3-7(5-14)19-9/h3,6,10,13-14,16H,4-5H2,1-2H3,(H,17,18)/t10-/m0/s1InChIKey
NOPNLCMHLWQGFO-JTQLQIEISA-NSynonyms
1212099-30-3(2~(S))2((3hydroxy6(hydroxymethyl)4oxopyran2yl)methylamino)3methylbutanoicacid
(S)2(((3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)methyl)amino)3methylbutanoicacid
1212099303
16407857
InChI=1SC12H17NO6c16(2)10(12(17)18)134911(16)8(15)37(514)199h3610131416H45H212H3(H1718)t10m0s1
N((3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)methyl)Lvaline
OCc1cc(=O)c(c(o1)CN(C@H)(C(=O)O)C(C)C)O
ZINC000008880087
ZINC8880087
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