Vitas-M small molecule compound

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

Catalog ID
STK161660
SMILES COc1ccc(c(c1)OC)/C=C\1/C(=C(N(C1=O)c1ccccc1F)C)C(=O)OC

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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 C22H20FNO5 MW 397.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FNO5/c1-13-20(22(26)29-4)16(11-14-9-10-15(27-2)12-19(14)28-3)21(25)24(13)18-8-6-5-7-17(18)23/h5-12H,1-4H3/b16-11-
InChIKey
NNNRLTWDTYVNSQ-WJDWOHSUSA-N
Synonyms
371212-41-8
(Z)methyl4(24dimethoxybenzylidene)1(2fluorophenyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
371212418
CC1=C(C(=CC2=C(C=C(C=C2)OC)OC)C(=O)N1C3=CC=CC=C3F)C(=O)OC
COc1ccc(c(c1)OC)C=C1C(=C(N(C1=O)c1ccccc1F)C)C(=O)OC
InChI=1SC22H20FNO5c11320(22(26)294)16(111491015(272)1219(14)283)21(25)24(13)18865717(18)23h512H14H3b1611
METHYL(4Z)4((24DIMETHOXYPHENYL)METHYLIDENE)1(2FLUOROPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(24DIMETHOXYBENZYLIDENE)1(2FLUOROPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL3((24DIMETHOXYPHENYL)METHYLENE)1(2FLUOROPHENYL)5METHYL2OXOAZOLINE4CARBOXYLATE
MFCD02228806
ZINC000000797858
ZINC00797858
ZINC797858

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Available files

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