Vitas-M small molecule compound
(2Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849666
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[O-])Br
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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 C21H20BrNO4 MW 430.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO4/c1-26-18-7-4-14(22)10-13(18)11-19-20(25)15-5-6-17(24)16(21(15)27-19)12-23-8-2-3-9-23/h4-7,10-11,24H,2-3,8-9,12H2,1H3/b19-11-InChIKey
TUGDBWFAGJZHAE-ODLFYWEKSA-NSynonyms
896850-45-6(2Z)2((5bromo2methoxyphenyl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(5bromo2methoxybenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
896850456
COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O))Br
InChI=1SC21H20BrNO4c126187414(22)1013(18)111920(25)155617(24)16(21(15)2719)1223823923h47101124H238912H21H3b1911
MFCD06602660
ZINC000020518786
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