Vitas-M small molecule compound
(2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK571624
SMILES O=C1/C(=C/C=C/c2ccccc2)/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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c24-19-10-9-17-21(25)20(8-4-7-16-5-2-1-3-6-16)27-22(17)18(19)15-23-11-13-26-14-12-23/h1-10,24H,11-15H2/b7-4+,20-8-InChIKey
VPBUVVMAEIYXJQ-FJASIERCSA-NSynonyms
896814-84-9(2Z)6HYDROXY7(MORPHOLIN4YLMETHYL)2((E)3PHENYLPROP2ENYLIDENE)1BENZOFURAN3ONE
(2Z)7(morpholin4ium4ylmethyl)3oxo2((2E)3phenylprop2en1ylidene)23dihydro1benzofuran6olate
2((2E)3PHENYLPROP2ENYLIDENE)6HYDROXY7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
C1COCCN1CC2=C(C=CC3=C2OC(=CC=CC4=CC=CC=C4)C3=O)O
InChI=1SC22H21NO4c24191091721(25)20(847165213616)2722(17)18(19)1523111326141223h11024H1115H2b74+208
MFCD06596434
O=C1C(=CC=Cc2ccccc2)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000013814623
ZINC13814623
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