Vitas-M small molecule compound
(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851082
SMILES CC1C[NH+](CC(C1)C)Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-14-9-15(2)12-24(11-14)13-18-19(25)4-3-17-21(26)20(27-22(17)18)10-16-5-7-23-8-6-16/h3-8,10,14-15,25H,9,11-13H2,1-2H3/b20-10-InChIKey
AZCLLDBMUXTTLW-JMIUGGIZSA-NSynonyms
900273-21-4(2Z)7((35dimethylpiperidinium1yl)methyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
900273214
CC1C(NH+)(CC(C1)C)Cc1c((O))ccc2c1OC(=Cc1ccncc1)C2=O
CC1CC(CN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O)C
InChI=1SC22H24N2O3c114915(2)1224(1114)131819(25)431721(26)20(2722(17)18)101657238616h3810141525H91113H212H3b2010
MFCD06611980
ZINC000013541360
ZINC000020533453
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