Vitas-M small molecule compound
(2Z)-2-(2-bromobenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK590850
SMILES O=C1/C(=C/c2ccccc2Br)/Oc2c1ccc(c2C[NH+]1CCOCC1)[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 C20H18BrNO4 MW 416.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO4/c21-16-4-2-1-3-13(16)11-18-19(24)14-5-6-17(23)15(20(14)26-18)12-22-7-9-25-10-8-22/h1-6,11,23H,7-10,12H2/b18-11-InChIKey
LEFWHLUBQPXPFA-WQRHYEAKSA-NSynonyms
899405-21-1(2Z)2(2bromobenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
C1COCCN1CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Br)C3=O)O
InChI=1SC20H18BrNO4c2116421313(16)111819(24)145617(23)15(20(14)2618)1222792510822h161123H71012H2b1811
MFCD06610139
O=C1C(=Cc2ccccc2Br)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000002347800
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