Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855915
SMILES Cc1cc([O-])c(c2c1C(=O)/C(=C/c1cccnc1)/O2)C[NH+]1CCCCCC1
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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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-15-11-18(25)17(14-24-9-4-2-3-5-10-24)22-20(15)21(26)19(27-22)12-16-7-6-8-23-13-16/h6-8,11-13,25H,2-5,9-10,14H2,1H3/b19-12-InChIKey
LZRDLLJGBFYVTG-UNOMPAQXSA-NSynonyms
904007-98-3(2Z)7(azepan1ium1ylmethyl)4methyl3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)7(azepanium1ylmethyl)4methyl3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
904007983
CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C(NH+)4CCCCCC4)(O)
Cc1cc((O))c(c2c1C(=O)C(=Cc1cccnc1)O2)C(NH+)1CCCCCC1
InChI=1SC22H24N2O3c1151118(25)17(1424942351024)2220(15)21(26)19(2722)1216768231316h68111325H2591014H21H3b1912
MFCD08289263
ZINC000020588879
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