Vitas-M small molecule compound

methyl (5E)-1-(4-fluorophenyl)-5-(4-methoxybenzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK169258
SMILES COC(=O)C1=C(C)N(/C(=C/c2ccc(cc2)OC)/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 C21H18FNO4 MW 367.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FNO4/c1-13-19(21(25)27-3)20(24)18(12-14-4-10-17(26-2)11-5-14)23(13)16-8-6-15(22)7-9-16/h4-12H,1-3H3/b18-12+
InChIKey
GKDAXAKMXGTXJC-LDADJPATSA-N
Synonyms

CC1=C(C(=O)C(=CC2=CC=C(C=C2)OC)N1C3=CC=C(C=C3)F)C(=O)OC
COC(=O)C1=C(C)N(C(=Cc2ccc(cc2)OC)C1=O)c1ccc(cc1)F
InChI=1SC21H18FNO4c11319(21(25)273)20(24)18(121441017(262)11514)23(13)168615(22)7916h412H13H3b1812+
METHYL(5E)1(4FLUOROPHENYL)5((4METHOXYPHENYL)METHYLIDENE)2METHYL4OXOPYRROLE3CARBOXYLATE
METHYL(5E)1(4FLUOROPHENYL)5(4METHOXYBENZYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD08675160
ZINC000004703152
ZINC04703152
ZINC4703152

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Available files

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