Vitas-M small molecule compound
(2Z)-2-(3,4-dimethoxybenzylidene)-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854201
SMILES COc1cc(ccc1OC)/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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-14-10-17(25)16(13-24-8-4-5-9-24)23-21(14)22(26)20(29-23)12-15-6-7-18(27-2)19(11-15)28-3/h6-7,10-12,25H,4-5,8-9,13H2,1-3H3/b20-12-InChIKey
GRMVIMSCWHFHMH-NDENLUEZSA-NSynonyms
903185-40-0(2Z)2((34dimethoxyphenyl)methylidene)4methyl3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(34dimethoxybenzylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
903185400
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2)C(NH+)4CCCC4)(O)
COc1cc(ccc1OC)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCC1)(O)
InChI=1SC23H25NO5c1141017(25)16(1324845924)2321(14)22(26)20(2923)12156718(272)19(1115)283h67101225H458913H213H3b2012
MFCD08290214
ZINC000020589579
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