Vitas-M small molecule compound

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

Catalog ID
STK804811
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(c(c1)Cl)Cl)C

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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 C15H13Cl2NO3 MW 326.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13Cl2NO3/c1-8-13(15(20)21-3)10(14(19)18(8)2)6-9-4-5-11(16)12(17)7-9/h4-7H,1-3H3/b10-6-
InChIKey
MZWNBNPNNBCPBU-POHAHGRESA-N
Synonyms

(Z)methyl4(34dichlorobenzylidene)12dimethyl5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)N1C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(c(c1)Cl)Cl)C
InChI=1SC15H13Cl2NO3c1813(15(20)213)10(14(19)18(8)2)694511(16)12(17)79h47H13H3b106
METHYL(4Z)4((34DICHLOROPHENYL)METHYLIDENE)12DIMETHYL5OXOPYRROLE3CARBOXYLATE
methyl(4Z)4(34dichlorobenzylidene)12dimethyl5oxo45dihydro1Hpyrrole3carboxylate
MFCD01153346
ZINC000000112510
ZINC00112510
ZINC112510

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Available files

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