Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK623771
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\C=C\c1ccccc1OC)/C2=O)CCOC
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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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-29-15-13-26(14-16-30-2)17-20-21(27)12-11-19-24(28)23(32-25(19)20)10-6-8-18-7-4-5-9-22(18)31-3/h4-12,27H,13-17H2,1-3H3/b8-6+,23-10-InChIKey
SAVBEKSNAVPYJG-JMESJSMXSA-NSynonyms
899391-86-7(2Z)7((BIS(2METHOXYETHYL)AMINO)METHYL)6HYDROXY2((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)1BENZOFURAN3ONE
(2Z)7((bis(2methoxyethyl)ammonio)methyl)2((2E)3(2methoxyphenyl)prop2en1ylidene)3oxo23dihydro1benzofuran6olate
2((2E)3(2METHOXYPHENYL)PROP2ENYLIDENE)7((BIS(2METHOXYETHYL)AMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
COCC(NH+)(Cc1c((O))ccc2c1OC(=CC=Cc1ccccc1OC)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC=CC3=CC=CC=C3OC)C2=O)O
InChI=1SC25H29NO6c129151326(1416302)172021(27)12111924(28)23(3225(19)20)106818745922(18)313h41227H1317H213H3b86+2310
MFCD06609074
ZINC000013654798
ZINC13654798
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