Vitas-M small molecule compound
(2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK626518
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC(C)C)CC(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 C26H31NO5 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5/c1-16(2)13-27(14-17(3)4)15-21-22(28)11-10-20-24(29)23(32-25(20)21)12-18-6-8-19(9-7-18)26(30)31-5/h6-12,16-17,28H,13-15H2,1-5H3/b23-12-InChIKey
QABYXWPARWUAFH-FMCGGJTJSA-NSynonyms
929398-08-3(2Z)7((bis(2methylpropyl)ammonio)methyl)2(4(methoxycarbonyl)benzylidene)3oxo23dihydro1benzofuran6olate
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)(CC(C)C)CC(C)C)(O)
METHYL4((7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXY3OXOBENZO(D)FURAN2YLIDENE)METHYL)BENZOATE
MFCD06692075
ZINC000020646888
ZINC20646888
Check stock
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Check stock on Vitas-MAvailable files
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