Vitas-M small molecule compound

(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK853229
SMILES O=C1/C(=C/C=C/c2ccccc2)/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 C22H21NO3 MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO3/c24-19-12-11-17-21(25)20(10-6-9-16-7-2-1-3-8-16)26-22(17)18(19)15-23-13-4-5-14-23/h1-3,6-12,24H,4-5,13-15H2/b9-6+,20-10-
InChIKey
KSXUFCHOLUMLDG-CRVGVPJFSA-N
Synonyms
900295-39-8
(2Z)3oxo2((2E)3phenylprop2en1ylidene)7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((E)3PHENYLPROP2ENYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
2((2E)3PHENYLPROP2ENYLIDENE)6HYDROXY7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
900295398
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC=CC4=CC=CC=C4)C3=O)O
InChI=1SC22H21NO3c241912111721(25)20(1069167213816)2622(17)18(19)152313451423h1361224H451315H2b96+2010
MFCD06612991
O=C1C(=CC=Cc2ccccc2)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000013541663
ZINC13541663

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Available files

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