Vitas-M small molecule compound

(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK849715
SMILES Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1)[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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-13-5-6-14(24-13)11-18-19(23)15-7-8-17(22)16(20(15)25-18)12-21-9-3-2-4-10-21/h5-8,11,22H,2-4,9-10,12H2,1H3/b18-11-
InChIKey
NCHUYSAZKPINDC-WQRHYEAKSA-N
Synonyms
900273-02-1
(2Z)2((5methylfuran2yl)methylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)7(PIPERIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((5METHYL(2FURYL))METHYLENE)7(PIPERIDYLMETHYL)BENZO(B)FURAN3ONE
900273021
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCC4
Cc1ccc(o1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1)(O)
InChI=1SC20H21NO4c1135614(2413)111819(23)157817(22)16(20(15)2518)122193241021h581122H2491012H21H3b1811
MFCD06611956
ZINC000013541349
ZINC13541349

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Available files

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