Vitas-M small molecule compound
3-[(2Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(pyridin-3-yl)propanoic acid
Catalog ID
STL422626
SMILES OC(=O)CC(c1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=O)c1cccnc1
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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 C23H15ClFNO5 MW 439.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClFNO5/c24-16-4-1-5-17(25)15(16)9-19-22(30)13-6-7-18(27)21(23(13)31-19)14(10-20(28)29)12-3-2-8-26-11-12/h1-9,11,14,27H,10H2,(H,28,29)/b19-9-InChIKey
QCHPDXNYVWCQSD-OCKHKDLRSA-NSynonyms
(Z)3(2(2chloro6fluorobenzylidene)6hydroxy3oxo23dihydrobenzofuran7yl)3(pyridin3yl)propanoicacid
3((2Z)2((2chloro6fluorophenyl)methylidene)6hydroxy3oxo1benzofuran7yl)3pyridin3ylpropanoicacid
3((2Z)2(2chloro6fluorobenzylidene)6hydroxy3oxo23dihydro1benzofuran7yl)3(pyridin3yl)propanoicacid
C1=CC(=C(C(=C1)Cl)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C(CC(=O)O)C4=CN=CC=C4)F
InChI=1SC23H15ClFNO5c241641517(25)15(16)91922(30)136718(27)21(23(13)3119)14(1020(28)29)12328261112h19111427H10H2(H2829)b199
MFCD29058202
OC(=O)CC(c1c(O)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O)c1cccnc1
ZINC000252497252
ZINC000252497253
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