Vitas-M small molecule compound

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

Catalog ID
STK168464
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1Cl)Cl)CCc1ccccc1

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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 C22H19Cl2NO3 MW 416.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2NO3/c1-14-19(22(27)28-2)17(13-16-9-6-10-18(23)20(16)24)21(26)25(14)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3/b17-13-
InChIKey
OPLUUZFUCDXNRD-LGMDPLHJSA-N
Synonyms

CC1=C(C(=CC2=C(C(=CC=C2)Cl)Cl)C(=O)N1CCC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1Cl)Cl)CCc1ccccc1
InChI=1SC22H19Cl2NO3c11419(22(27)282)17(1316961018(23)20(16)24)21(26)25(14)1211157435815h31013H1112H212H3b1713
methyl(4Z)4((23dichlorophenyl)methylidene)2methyl5oxo1(2phenylethyl)pyrrole3carboxylate
METHYL(4Z)4((23DICHLOROPHENYL)METHYLIDENE)2METHYL5OXO1PHENETHYLPYRROLE3CARBOXYLATE
METHYL(4Z)4(23DICHLOROBENZYLIDENE)2METHYL5OXO1(2PHENYLETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03712504
ZINC000002810700
ZINC02810700
ZINC2810700

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Available files

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