Vitas-M small molecule compound
(2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK627996
SMILES COc1cc(ccc1OC)/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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-16(2)13-27(14-17(3)4)15-20-21(28)9-8-19-25(29)24(32-26(19)20)12-18-7-10-22(30-5)23(11-18)31-6/h7-12,16-17,28H,13-15H2,1-6H3/b24-12-InChIKey
AHWQLNSSMLRXOM-MSXFZWOLSA-NSynonyms
929456-39-3(2Z)7((bis(2methylpropyl)ammonio)methyl)2(34dimethoxybenzylidene)3oxo23dihydro1benzofuran6olate
2((34DIMETHOXYPHENYL)METHYLENE)7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2C(NH+)(CC(C)C)CC(C)C)(O)
MFCD06692070
ZINC000020647105
ZINC20647105
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