Vitas-M small molecule compound
methyl 3-(5-{(E)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL388338
SMILES COC(=O)c1cccc(c1)c1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccc(cc1)F
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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 C22H15FN2O5 MW 406.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15FN2O5/c1-29-22(28)14-4-2-3-13(11-14)19-10-9-17(30-19)12-18-20(26)24-25(21(18)27)16-7-5-15(23)6-8-16/h2-12H,1H3,(H,24,26)/b18-12+InChIKey
VMUABXCZPFHGKI-LDADJPATSA-NSynonyms
COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)F
COC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(cc1)F
InChI=1SC22H15FN2O5c12922(28)1442313(1114)1910917(3019)121820(26)2425(21(18)27)167515(23)6816h212H1H3(H2426)b1812+
methyl3(5((E)(1(4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
MFCD28951058
ZINC000033348836
ZINC33348836
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