Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848655
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccnc1)/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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-26-10-8-23(9-11-27-2)14-17-18(24)6-5-16-20(25)19(28-21(16)17)12-15-4-3-7-22-13-15/h3-7,12-13,24H,8-11,14H2,1-2H3/b19-12-InChIKey
ABZCFPSSCUDTCI-UNOMPAQXSA-NSynonyms
896081-93-9(2Z)7((bis(2methoxyethyl)ammonio)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
896081939
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=CN=CC=C3)C2=O)O
InChI=1SC21H24N2O5c12610823(911272)141718(24)651620(25)19(2821(16)17)1215437221315h37121324H81114H212H3b1912
MFCD06593240
ZINC000020503727
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