Vitas-M small molecule compound
(2Z)-2-ammonio-4-oxo-4-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)but-2-enoate
Catalog ID
STK674854
SMILES [O-]C(=O)/C(=C/C(=O)c1c(O)c(F)c(c(c1F)F)F)/[NH3+]
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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 C10H5F4NO4 MW 279.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H5F4NO4/c11-5-4(3(16)1-2(15)10(18)19)9(17)8(14)7(13)6(5)12/h1,17H,15H2,(H,18,19)/b2-1-InChIKey
GBRNPLYJAUYZNC-UPHRSURJSA-NSynonyms
(2Z)2ammonio4oxo4(2345tetrafluoro6hydroxyphenyl)but2enoate
(O)C(=O)C(=CC(=O)c1c(O)c(F)c(c(c1F)F)F)(NH3+)
2((Z)3azaniumyl3carboxyprop2enoyl)3456tetrafluorophenolate
C(=C(C(=O)O)(NH3+))C(=O)C1=C(C(=C(C(=C1F)F)F)F)(O)
InChI=1SC10H5F4NO4c1154(3(16)12(15)10(18)19)9(17)8(14)7(13)6(5)12h117H15H2(H1819)b21
MFCD01460943
ZINC000100072496
ZINC100072496
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