Vitas-M small molecule compound
(2Z)-2-(5-bromo-2-methoxybenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK589705
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[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 C21H20BrNO5 MW 446.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO5/c1-26-18-5-2-14(22)10-13(18)11-19-20(25)15-3-4-17(24)16(21(15)28-19)12-23-6-8-27-9-7-23/h2-5,10-11,24H,6-9,12H2,1H3/b19-11-InChIKey
VGPSMDNLPSWLCM-ODLFYWEKSA-NSynonyms
899389-81-2(2Z)2(5bromo2methoxybenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCOCC4
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O))Br
InChI=1SC21H20BrNO5c126185214(22)1013(18)111920(25)153417(24)16(21(15)2819)122368279723h25101124H6912H21H3b1911
MFCD06604765
ZINC000020519285
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