Vitas-M small molecule compound
(2Z)-2-(3-fluorobenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850625
SMILES Fc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1)[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 C21H20FNO3 MW 353.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FNO3/c22-15-6-4-5-14(11-15)12-19-20(25)16-7-8-18(24)17(21(16)26-19)13-23-9-2-1-3-10-23/h4-8,11-12,24H,1-3,9-10,13H2/b19-12-InChIKey
HALKDVHNXKKKGP-UNOMPAQXSA-NSynonyms
896822-50-7(2Z)2((3FLUOROPHENYL)METHYLIDENE)6HYDROXY7(PIPERIDIN1YLMETHYL)1BENZOFURAN3ONE
(2Z)2(3fluorobenzylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
2((3FLUOROPHENYL)METHYLENE)6HYDROXY7(PIPERIDYLMETHYL)BENZO(B)FURAN3ONE
896822507
C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)F)C3=O)O
Fc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1)(O)
InChI=1SC21H20FNO3c221564514(1115)121920(25)167818(24)17(21(16)2619)132392131023h48111224H1391013H2b1912
MFCD06598153
ZINC000002213392
ZINC2213392
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