Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856660
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/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 C24H26ClNO7 MW 475.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClNO7/c1-29-7-5-26(6-8-30-2)12-19-20(27)4-3-18-22(28)21(33-24(18)19)11-15-9-17(25)10-16-13-31-14-32-23(15)16/h3-4,9-11,27H,5-8,12-14H2,1-2H3/b21-11-InChIKey
UBAZFKFPCSUISP-NHDPSOOVSA-NSynonyms
929434-16-2(2Z)7((bis(2methoxyethyl)ammonio)methyl)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((bis(2methoxyethyl)azaniumyl)methyl)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6olate
929434162
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)CCOC
COCC(NH+)(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC4=C3OCOC4)Cl)C2=O)(O)
InChI=1SC24H26ClNO7c1297526(68302)121920(27)431822(28)21(3324(18)19)1115917(25)10161331143223(15)16h3491127H581214H212H3b2111
MFCD09796916
ZINC000020650376
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