Vitas-M small molecule compound
(2Z)-2-(2-methoxybenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856125
SMILES COc1ccccc1/C=C/1\Oc2c(C1=O)ccc(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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-25-18-7-3-2-6-14(18)12-19-20(24)15-8-9-17(23)16(21(15)26-19)13-22-10-4-5-11-22/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3/b19-12-InChIKey
SENRZSWPAUUHJY-UNOMPAQXSA-NSynonyms
887214-29-1(2Z)2((2methoxyphenyl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(2methoxybenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
887214291
COC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
COc1ccccc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC21H21NO4c12518732614(18)121920(24)158917(23)16(21(15)2619)132210451122h23691223H45101113H21H3b1912
MFCD06745635
ZINC000020624283
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