Vitas-M small molecule compound
(2Z)-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848028
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1O/C(=C\c1cccnc1)/C2=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/c1-14-4-3-9-23(12-14)13-17-18(24)7-6-16-20(25)19(26-21(16)17)10-15-5-2-8-22-11-15/h2,5-8,10-11,14,24H,3-4,9,12-13H2,1H3/b19-10-InChIKey
SXNUIQMUHDXGEA-GRSHGNNSSA-NSynonyms
896827-21-7(2Z)7((3methylpiperidin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)7((3methylpiperidinium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
896827217
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O
CC1CCC(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)(O)
InChI=1SC21H22N2O3c11443923(1214)131718(24)761620(25)19(2621(16)17)1015528221115h25810111424H3491213H21H3b1910
MFCD06598678
ZINC000020517932
ZINC000020517934
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