Vitas-M small molecule compound

(2Z)-2-(4-methoxybenzylidene)-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK853335
SMILES COc1ccc(cc1)/C=C/1\Oc2c(C1=O)c(C)cc(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 C22H23NO4 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO4/c1-14-11-18(24)17(13-23-9-3-4-10-23)22-20(14)21(25)19(27-22)12-15-5-7-16(26-2)8-6-15/h5-8,11-12,24H,3-4,9-10,13H2,1-2H3/b19-12-
InChIKey
ZLAYFGAZOJNDHD-UNOMPAQXSA-N
Synonyms
904008-34-0
(2Z)2(4methoxybenzylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
904008340
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)OC)O2)CN4CCCC4)O
COc1ccc(cc1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCC1)(O)
InChI=1SC22H23NO4c1141118(24)17(13239341023)2220(14)21(25)19(2722)12155716(262)8615h58111224H3491013H212H3b1912
MFCD08292752
ZINC000020591408

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Available files

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