Vitas-M small molecule compound
(2Z)-2-(2-methoxybenzylidene)-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855689
SMILES COc1ccccc1/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/c1-14-11-17(24)16(13-23-9-5-6-10-23)22-20(14)21(25)19(27-22)12-15-7-3-4-8-18(15)26-2/h3-4,7-8,11-12,24H,5-6,9-10,13H2,1-2H3/b19-12-InChIKey
GKKHQRIMMUTCDA-UNOMPAQXSA-NSynonyms
903865-71-4(2Z)2((2methoxyphenyl)methylidene)4methyl3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(2methoxybenzylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
903865714
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CC=C3OC)O2)C(NH+)4CCCC4)(O)
COc1ccccc1C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCC1)(O)
InChI=1SC22H23NO4c1141117(24)16(13239561023)2220(14)21(25)19(2722)1215734818(15)262h3478111224H5691013H212H3b1912
MFCD08285688
ZINC000020573211
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