Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853318
SMILES CCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cccnc1)/C2=O)C
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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 C22H25N3O3 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3/c1-3-24-7-9-25(10-8-24)14-17-18(26)11-15(2)20-21(27)19(28-22(17)20)12-16-5-4-6-23-13-16/h4-6,11-13,26H,3,7-10,14H2,1-2H3/b19-12-InChIKey
AOAIJQMCYAJVQM-UNOMPAQXSA-NSynonyms
904011-08-1(2Z)7((4ethylpiperazin1ium1yl)methyl)4methyl3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)4methyl3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
904011081
CCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cccnc1)C2=O)C
CCN1CC(NH+)(CC1)CC2=C(C=C(C3=C2OC(=CC4=CN=CC=C4)C3=O)C)(O)
InChI=1SC22H25N3O3c13247925(10824)141718(26)1115(2)2021(27)19(2822(17)20)1216546231316h46111326H371014H212H3b1912
MFCD08289577
ZINC000022883079
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