Vitas-M small molecule compound
(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856992
SMILES CC1C[NH+](CC(C1)C)Cc1c([O-])ccc2c1O/C(=C\c1ccc(o1)C)/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 C22H25NO4 MW 367.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4/c1-13-8-14(2)11-23(10-13)12-18-19(24)7-6-17-21(25)20(27-22(17)18)9-16-5-4-15(3)26-16/h4-7,9,13-14,24H,8,10-12H2,1-3H3/b20-9-InChIKey
YMUCZYAOTJBNPJ-UKWGHVSLSA-NSynonyms
929433-33-0(2Z)7((35dimethylpiperidin1yl)methyl)6hydroxy2((5methylfuran2yl)methylidene)1benzofuran3one
(2Z)7((35dimethylpiperidinium1yl)methyl)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
929433330
CC1C(NH+)(CC(C1)C)Cc1c((O))ccc2c1OC(=Cc1ccc(o1)C)C2=O
CC1CC(CN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(O4)C)C3=O)O)C
InChI=1SC22H25NO4c113814(2)1123(1013)121819(24)761721(25)20(2722(17)18)9165415(3)2616h479131424H81012H213H3b209
MFCD09795331
ZINC000013656037
ZINC000013656046
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