Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853374
SMILES COCC[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1cccnc1)/C2=O)C)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 C22H26N2O5 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5/c1-15-11-18(25)17(14-24(7-9-27-2)8-10-28-3)22-20(15)21(26)19(29-22)12-16-5-4-6-23-13-16/h4-6,11-13,25H,7-10,14H2,1-3H3/b19-12-InChIKey
PAZOSEOILOHBQO-UNOMPAQXSA-NSynonyms
903188-47-6(2Z)7((bis(2methoxyethyl)ammonio)methyl)4methyl3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((bis(2methoxyethyl)azaniumyl)methyl)4methyl3oxo2(pyridin3ylmethylidene)1benzofuran6olate
903188476
CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C(NH+)(CCOC)CCOC)(O)
COCC(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cccnc1)C2=O)C)CCOC
InChI=1SC22H26N2O5c1151118(25)17(1424(79272)810283)2220(15)21(26)19(2922)1216546231316h46111325H71014H213H3b1912
MFCD08288294
ZINC000020573718
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