Vitas-M small molecule compound
(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848543
SMILES CC1C[NH+](CC(C1)C)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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-14-8-15(2)12-24(11-14)13-18-19(25)6-5-17-21(26)20(27-22(17)18)9-16-4-3-7-23-10-16/h3-7,9-10,14-15,25H,8,11-13H2,1-2H3/b20-9-InChIKey
CFUSTWQYPPFZOG-UKWGHVSLSA-NSynonyms
896828-05-0(2Z)7((35DIMETHYLPIPERIDIN1YL)METHYL)6HYDROXY2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((35dimethylpiperidinium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
7((35DIMETHYLPIPERIDYL)METHYL)6HYDROXY2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
896828050
CC1C(NH+)(CC(C1)C)Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O
CC1CC(CN(C1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)O)C
InChI=1SC22H24N2O3c114815(2)1224(1114)131819(25)651721(26)20(2722(17)18)916437231016h37910141525H81113H212H3b209
MFCD06599262
ZINC000013815755
ZINC000020518060
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