Vitas-M small molecule compound

(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856173
SMILES Brc1ccc2c(c1)cc(o2)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[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 C22H18BrNO4 MW 440.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO4/c23-14-3-6-19-13(9-14)10-15(27-19)11-20-21(26)16-4-5-18(25)17(22(16)28-20)12-24-7-1-2-8-24/h3-6,9-11,25H,1-2,7-8,12H2/b20-11-
InChIKey
XQSFMPSDTNVLTQ-JAIQZWGSSA-N
Synonyms
929457-30-7
(2Z)2((5bromo1benzofuran2yl)methylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)6hydroxy7(pyrrolidin1ylmethyl)1benzofuran3one
929457307
Brc1ccc2c(c1)cc(o2)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)O
InChI=1SC22H18BrNO4c2314361913(914)1015(2719)112021(26)164518(25)17(22(16)2820)1224712824h3691125H127812H2b2011
MFCD09789706
ZINC000009576519

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Available files

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