Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-2-[4-(methoxycarbonyl)benzylidene]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854424
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+](C)C)[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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-12-9-16(23)15(11-22(2)3)20-18(12)19(24)17(27-20)10-13-5-7-14(8-6-13)21(25)26-4/h5-10,23H,11H2,1-4H3/b17-10-InChIKey
HKCLHPJFPNJQRK-YVLHZVERSA-NSynonyms
905015-38-5(2Z)7((dimethylammonio)methyl)2(4(methoxycarbonyl)benzylidene)4methyl3oxo23dihydro1benzofuran6olate
905015385
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)O2)CN(C)C)O
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)(C)C)(O)
InChI=1SC21H21NO5c112916(23)15(1122(2)3)2018(12)19(24)17(2720)10135714(8613)21(25)264h51023H11H214H3b1710
methyl4((Z)(7((dimethylamino)methyl)6hydroxy4methyl3oxo1benzofuran2ylidene)methyl)benzoate
MFCD08293233
ZINC000020591638
Check stock
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Check stock on Vitas-MAvailable files
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