Vitas-M small molecule compound
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849193
SMILES CC1CCC[NH+](C1)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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-13-4-3-9-22(11-13)12-17-18(23)8-7-16-20(24)19(26-21(16)17)10-15-6-5-14(2)25-15/h5-8,10,13,23H,3-4,9,11-12H2,1-2H3/b19-10-InChIKey
XDIFVRQXTINFOC-GRSHGNNSSA-NSynonyms
896078-46-9(2Z)2((5methylfuran2yl)methylidene)7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)7((3METHYLPIPERIDIN1YL)METHYL)1BENZOFURAN3ONE
6HYDROXY2((5METHYL(2FURYL))METHYLENE)7((3METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
896078469
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1ccc(o1)C)C2=O
CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(O4)C)C3=O)O
InChI=1SC21H23NO4c11343922(1113)121718(23)871620(24)19(2621(16)17)10156514(2)2515h58101323H3491112H212H3b1910
MFCD06592758
ZINC000002439484
ZINC000005338792
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