Vitas-M small molecule compound
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK586453
SMILES Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(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 C19H19NO5 MW 341.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5/c1-12-2-3-13(24-12)10-17-18(22)14-4-5-16(21)15(19(14)25-17)11-20-6-8-23-9-7-20/h2-5,10,21H,6-9,11H2,1H3/b17-10-InChIKey
HCKRDNBFIVYEMV-YVLHZVERSA-NSynonyms
899400-53-4(2Z)2((5methylfuran2yl)methylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
(2Z)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((5METHYL(2FURYL))METHYLENE)7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCOCC4
Cc1ccc(o1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O)
InChI=1SC19H19NO5c1122313(2412)101718(22)144516(21)15(19(14)2517)112068239720h251021H6911H21H3b1710
MFCD06608201
ZINC000013540628
ZINC13540628
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