Vitas-M small molecule compound
(2Z)-7-{[butyl(methyl)ammonio]methyl}-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851053
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C(=O)OC)/C2=O)C
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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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-4-5-12-24(2)14-18-19(25)11-10-17-21(26)20(29-22(17)18)13-15-6-8-16(9-7-15)23(27)28-3/h6-11,13,25H,4-5,12,14H2,1-3H3/b20-13-InChIKey
SCZJENVKFXDNPT-MOSHPQCFSA-NSynonyms
896812-97-8(2Z)7((butyl(methyl)ammonio)methyl)2(4(methoxycarbonyl)benzylidene)3oxo23dihydro1benzofuran6olate
896812978
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)C(=O)OC)C2=O)C
CCCCN(C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C(=O)OC)C2=O)O
InChI=1SC23H25NO5c1451224(2)141819(25)11101721(26)20(2922(17)18)13156816(9715)23(27)283h6111325H451214H213H3b2013
MFCD06596550
ZINC000020517495
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