Vitas-M small molecule compound
methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168513
SMILES COC(=O)C1=C(C)NC(=O)/C/1=C\c1ccc(cc1)OCC(=O)Nc1ccc(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 C22H19FN2O5 MW 410.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O5/c1-13-20(22(28)29-2)18(21(27)24-13)11-14-3-9-17(10-4-14)30-12-19(26)25-16-7-5-15(23)6-8-16/h3-11H,12H2,1-2H3,(H,24,27)(H,25,26)/b18-11-InChIKey
MBXBZXIHGLBFQG-WQRHYEAKSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)C(=O)N1)C(=O)OC
COC(=O)C1=C(C)NC(=O)C1=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)F
InChI=1SC22H19FN2O5c11320(22(28)292)18(21(27)2413)11143917(10414)301219(26)25167515(23)6816h311H12H212H3(H2427)(H2526)b1811
METHYL(4Z)4((4(2(4FLUOROANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)2METHYL5OXO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(4(2((4FLUOROPHENYL)AMINO)2OXOETHOXY)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02954500
ZINC000001013602
ZINC01013602
ZINC1013602
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