Vitas-M small molecule compound

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

Catalog ID
STK168479
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1Cl)Cl)c1ccccc1

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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 C20H15Cl2NO3 MW 388.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2NO3/c1-12-18(20(25)26-2)16(10-13-8-9-14(21)11-17(13)22)19(24)23(12)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-10-
InChIKey
YDDSTXXGDBNHRQ-YBEGLDIGSA-N
Synonyms

CC1=C(C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)N1C3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1Cl)Cl)c1ccccc1
InChI=1SC20H15Cl2NO3c11218(20(25)262)16(10138914(21)1117(13)22)19(24)23(12)156435715h311H12H3b1610
METHYL(4Z)4((24DICHLOROPHENYL)METHYLIDENE)2METHYL5OXO1PHENYLPYRROLE3CARBOXYLATE
METHYL(4Z)4(24DICHLOROBENZYLIDENE)2METHYL5OXO1PHENYL45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03269834
ZINC000000660202
ZINC00660202
ZINC660202

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Available files

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