Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(3-chlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849271
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)Cl)/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 C22H24ClNO5 MW 417.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClNO5/c1-27-10-8-24(9-11-28-2)14-18-19(25)7-6-17-21(26)20(29-22(17)18)13-15-4-3-5-16(23)12-15/h3-7,12-13,25H,8-11,14H2,1-2H3/b20-13-InChIKey
OJQFQDANJCRQAJ-MOSHPQCFSA-NSynonyms
896600-42-3(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(3chlorobenzylidene)3oxo23dihydro1benzofuran6olate
896600423
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccc(c1)Cl)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC=C3)Cl)C2=O)O
InChI=1SC22H24ClNO5c12710824(911282)141819(25)761721(26)20(2922(17)18)131543516(23)1215h37121325H81114H212H3b2013
MFCD06593345
ZINC000020503736
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