Vitas-M small molecule compound
ethyl 2-chloro-5-(5-{(Z)-[1-(3-chlorophenyl)-3-hydroxy-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL383254
SMILES CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)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 C23H16Cl2N2O5 MW 471.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2N2O5/c1-2-31-23(30)17-10-13(6-8-19(17)25)20-9-7-16(32-20)12-18-21(28)26-27(22(18)29)15-5-3-4-14(24)11-15/h3-12H,2H2,1H3,(H,26,28)/b18-12-InChIKey
CGEDSRYMARBJFS-PDGQHHTCSA-NSynonyms
CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1cccc(c1)Cl)O
ethyl2chloro5(5((Z)(1(3chlorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
ETHYL2CHLORO5(5((Z)(1(3CHLOROPHENYL)3HYDROXY5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC23H16Cl2N2O5c123123(30)171013(6819(17)25)209716(3220)121821(28)2627(22(18)29)1553414(24)1115h312H2H21H3(H2628)b1812
MFCD28952747
ZINC000032099361
ZINC32099361
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