Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849861
SMILES Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCCC1)[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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-14-6-7-15(25-14)12-19-20(24)16-8-9-18(23)17(21(16)26-19)13-22-10-4-2-3-5-11-22/h6-9,12,23H,2-5,10-11,13H2,1H3/b19-12-InChIKey
QEYQEQLAEQOQGC-UNOMPAQXSA-NSynonyms
899411-32-6(2Z)7(azepan1ium1ylmethyl)2((5methylfuran2yl)methylidene)3oxo1benzofuran6olate
(2Z)7(AZEPAN1YLMETHYL)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7(azepanium1ylmethyl)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
7(AZAPERHYDROEPINYLMETHYL)6HYDROXY2((5METHYL(2FURYL))METHYLENE)BENZO(B)FURAN3ONE
899411326
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCCCC4
Cc1ccc(o1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCCC1)(O)
InChI=1SC21H23NO4c1146715(2514)121920(24)168918(23)17(21(16)2619)13221042351122h691223H25101113H21H3b1912
MFCD06605533
ZINC000013540171
ZINC13540171
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