Vitas-M small molecule compound
2-fluoro-2,2-dinitroethyl 3-bromo-4-methoxybenzenesulfonate
Catalog ID
STK434519
SMILES COc1ccc(cc1Br)S(=O)(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F
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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 C9H8BrFN2O8S MW 403.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8BrFN2O8S/c1-20-8-3-2-6(4-7(8)10)22(18,19)21-5-9(11,12(14)15)13(16)17/h2-4H,5H2,1H3InChIKey
ITWHPXILLGRDTI-UHFFFAOYSA-NSynonyms
(2FLUORO22DINITROETHYL)3BROMO4METHOXYBENZENESULFONATE
2fluoro22dinitroethyl3bromo4methoxybenzenesulfonate
COC1=C(C=C(C=C1)S(=O)(=O)OCC((N+)(=O)(O))((N+)(=O)(O))F)Br
COc1ccc(cc1Br)S(=O)(=O)OCC((N+)(=O)(O))((N+)(=O)(O))F
InChI=1SC9H8BrFN2O8Sc1208326(47(8)10)22(1819)2159(1112(14)15)13(16)17h24H5H21H3
MFCD00407654
ZINC000019321434
ZINC19321434
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