Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK632401
SMILES COc1ccc(cc1/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nnc(s1)C)/O)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 C21H15ClFN3O4S MW 459.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClFN3O4S/c1-10-24-25-21(31-10)26-17(11-4-3-5-12(22)8-11)16(19(28)20(26)29)18(27)14-9-13(23)6-7-15(14)30-2/h3-9,17,27H,1-2H3/b18-16+InChIKey
PWEBUZBFEMOVOT-FBMGVBCBSA-NSynonyms
951946-07-9(4E)5(3chlorophenyl)4((5fluoro2methoxyphenyl)(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
(4E)5(3chlorophenyl)4((5fluoro2methoxyphenyl)hydroxymethylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
951946079
CC1=NN=C(S1)N2C(C(=C(C3=C(C=CC(=C3)F)OC)O)C(=O)C2=O)C4=CC(=CC=C4)Cl
COc1ccc(cc1C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nnc(s1)C)O)F
InChI=1SC21H15ClFN3O4Sc110242521(3110)2617(1143512(22)811)16(19(28)20(26)29)18(27)14913(23)6715(14)302h391727H12H3b1816+
MFCD18159772
ZINC000102736362
ZINC000102736363
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