Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849197
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-14-6-11-28-19(14)12-18-20(24)15-4-5-17(23)16(21(15)27-18)13-22(7-9-25-2)8-10-26-3/h4-6,11-12,23H,7-10,13H2,1-3H3/b18-12-InChIKey
XWOFTBJGGBROCR-PDGQHHTCSA-NSynonyms
896597-58-3(2Z)7((BIS(2METHOXYETHYL)AMINO)METHYL)6HYDROXY2((3METHYLTHIOPHEN2YL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((bis(2methoxyethyl)ammonio)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
7((BIS(2METHOXYETHYL)AMINO)METHYL)6HYDROXY2((3METHYL(2THIENYL))METHYLENE)BENZO(B)FURAN3ONE
896597583
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CCOC)CCOC
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O)CCOC
InChI=1SC21H25NO5Sc1146112819(14)121820(24)154517(23)16(21(15)2718)1322(79252)810263h46111223H71013H213H3b1812
MFCD06594250
ZINC000002440886
ZINC02440886
ZINC2440886
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