Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856017
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC)CC)[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 C22H23NO5 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5/c1-4-23(5-2)13-17-18(24)11-10-16-20(25)19(28-21(16)17)12-14-6-8-15(9-7-14)22(26)27-3/h6-12,24H,4-5,13H2,1-3H3/b19-12-InChIKey
ZWGWLEKZFBFZLT-UNOMPAQXSA-NSynonyms
869077-24-7(2Z)7((diethylammonio)methyl)2(4(methoxycarbonyl)benzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((diethylazaniumyl)methyl)2((4methoxycarbonylphenyl)methylidene)3oxo1benzofuran6olate
869077247
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C(=O)OC)C2=O)(O)
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)(CC)CC)(O)
InChI=1SC22H23NO5c1423(52)131718(24)11101620(25)19(2821(16)17)12146815(9714)22(26)273h61224H4513H213H3b1912
MFCD06405734
ZINC000020624547
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