Vitas-M small molecule compound
(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK577662
SMILES O=C1/C(=C/c2c(F)cccc2Cl)/Oc2c1ccc(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 C21H19ClFNO3 MW 387.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFNO3/c22-16-5-4-6-17(23)14(16)11-19-20(26)13-7-8-18(25)15(21(13)27-19)12-24-9-2-1-3-10-24/h4-8,11,25H,1-3,9-10,12H2/b19-11-InChIKey
GYKVLUNMEYCBJS-ODLFYWEKSA-NSynonyms
896593-83-2(2Z)2(2chloro6fluorobenzylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)O
InChI=1SC21H19ClFNO3c221654617(23)14(16)111920(26)137818(25)15(21(13)2719)122492131024h481125H1391012H2b1911
MFCD06594448
O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc(c2C(NH+)1CCCCC1)(O)
ZINC000002194694
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