Vitas-M small molecule compound
(2Z)-2-(2-bromobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK576441
SMILES O=C1/C(=C/c2ccccc2Br)/Oc2c1ccc(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 C20H18BrNO3 MW 400.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO3/c21-16-6-2-1-5-13(16)11-18-19(24)14-7-8-17(23)15(20(14)25-18)12-22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10,12H2/b18-11-InChIKey
SKEWYKPZGKDRAW-WQRHYEAKSA-NSynonyms
896599-95-4(2Z)2(2bromobenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Br)C3=O)O
InChI=1SC20H18BrNO3c2116621513(16)111819(24)147817(23)15(20(14)2518)12229341022h12581123H3491012H2b1811
MFCD06593740
O=C1C(=Cc2ccccc2Br)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000002431430
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