Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851481
SMILES O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2C[NH+]1CCCCCC1)[O-]
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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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c24-18-8-7-16-20(25)19(12-15-6-5-9-22-13-15)26-21(16)17(18)14-23-10-3-1-2-4-11-23/h5-9,12-13,24H,1-4,10-11,14H2/b19-12-InChIKey
YSHIITUYRMCWGH-UNOMPAQXSA-NSynonyms
896597-72-1(2Z)7(azepan1ium1ylmethyl)3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)7(azepanium1ylmethyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
896597721
C1CCC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)(O)
InChI=1SC21H22N2O3c2418871620(25)19(1215659221315)2621(16)17(18)14231031241123h59121324H14101114H2b1912
MFCD06594932
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2C(NH+)1CCCCCC1)(O)
ZINC000006192094
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