Vitas-M small molecule compound
(2Z)-2-(3-methoxybenzylidene)-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855358
SMILES COc1cccc(c1)/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/c1-14-10-18(24)17(13-23-8-3-4-9-23)22-20(14)21(25)19(27-22)12-15-6-5-7-16(11-15)26-2/h5-7,10-12,24H,3-4,8-9,13H2,1-2H3/b19-12-InChIKey
LNHLYLGXBHGTBQ-UNOMPAQXSA-NSynonyms
903190-38-5(2Z)2(3methoxybenzylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
903190385
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=CC=C3)OC)O2)CN4CCCC4)O
COc1cccc(c1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCC1)(O)
InChI=1SC22H23NO4c1141018(24)17(1323834923)2220(14)21(25)19(2722)121565716(1115)262h57101224H348913H212H3b1912
MFCD08290405
ZINC000020589732
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