Vitas-M small molecule compound
(2Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856800
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[O-])OC
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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 C22H23NO5 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5/c1-26-15-5-8-19(27-2)14(11-15)12-20-21(25)16-6-7-18(24)17(22(16)28-20)13-23-9-3-4-10-23/h5-8,11-12,24H,3-4,9-10,13H2,1-2H3/b20-12-InChIKey
UGRDMDQPZBTSFM-NDENLUEZSA-NSynonyms
887214-42-8(2Z)2((25dimethoxyphenyl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(25dimethoxybenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
887214428
COC1=CC(=C(C=C1)OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O))OC
InChI=1SC22H23NO5c126155819(272)14(1115)122021(25)166718(24)17(22(16)2820)13239341023h58111224H3491013H212H3b2012
MFCD06745639
ZINC000020624793
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