Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK852348
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccs1)/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 C20H23NO5S MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S/c1-24-9-7-21(8-10-25-2)13-16-17(22)6-5-15-19(23)18(26-20(15)16)12-14-4-3-11-27-14/h3-6,11-12,22H,7-10,13H2,1-2H3/b18-12-InChIKey
KCJRYGOLDUIUEM-PDGQHHTCSA-NSynonyms
900285-73-6(2Z)7((BIS(2METHOXYETHYL)AMINO)METHYL)6HYDROXY2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((bis(2methoxyethyl)ammonio)methyl)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((bis(2methoxyethyl)azaniumyl)methyl)3oxo2(thiophen2ylmethylidene)1benzofuran6olate
7((BIS(2METHOXYETHYL)AMINO)METHYL)6HYDROXY2(2THIENYLMETHYLENE)BENZO(B)FURAN3ONE
900285736
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccs1)C2=O)CCOC
COCC(NH+)(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=CS3)C2=O)(O)
InChI=1SC20H23NO5Sc1249721(810252)131617(22)651519(23)18(2620(15)16)121443112714h36111222H71013H212H3b1812
MFCD06614013
ZINC000020533538
ZINC20533538
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