Vitas-M small molecule compound
(2Z)-7-[(dibutylammonio)methyl]-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629641
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C(=O)OC)/C2=O)CCCC
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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/c1-4-6-14-27(15-7-5-2)17-21-22(28)13-12-20-24(29)23(32-25(20)21)16-18-8-10-19(11-9-18)26(30)31-3/h8-13,16,28H,4-7,14-15,17H2,1-3H3/b23-16-InChIKey
CWPAXVVMKCWARC-KQWNVCNZSA-NSynonyms
929457-07-8(2Z)7((dibutylammonio)methyl)2(4(methoxycarbonyl)benzylidene)3oxo23dihydro1benzofuran6olate
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)C(=O)OC)C2=O)CCCC
METHYL4((7((DIBUTYLAMINO)METHYL)6HYDROXY3OXOBENZO(D)FURAN2YLIDENE)METHYL)BENZOATE
MFCD09789368
ZINC000020663572
ZINC20663572
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