Vitas-M small molecule compound

methyl (5E)-5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160906
SMILES COC(=O)C1=C(C)N/C(=C/c2cc(n(c2C)c2ccccc2F)C)/C1=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 C20H19FN2O3 MW 354.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN2O3/c1-11-9-14(13(3)23(11)17-8-6-5-7-15(17)21)10-16-19(24)18(12(2)22-16)20(25)26-4/h5-10,22H,1-4H3/b16-10+
InChIKey
FFYFFIKXPGVWCS-MHWRWJLKSA-N
Synonyms

CC1=CC(=C(N1C2=CC=CC=C2F)C)C=C3C(=O)C(=C(N3)C)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2ccccc2F)C)C1=O
InChI=1SC20H19FN2O3c111914(13(3)23(11)17865715(17)21)101619(24)18(12(2)2216)20(25)264h51022H14H3b1610+
METHYL(5E)5((1(2FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)5((1(2FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)5((1(2FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
MFCD03922896
ZINC000013572249
ZINC13572249

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.