Vitas-M small molecule compound

methyl (4E)-4-(4-bromophenyl)-4-[5-(4-bromophenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]butanoate

Catalog ID
STK721941
SMILES COC(=O)CC/C(=C\1/C=C(NC1=O)c1ccc(cc1)Br)/c1ccc(cc1)Br

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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 C21H17Br2NO3 MW 491.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br2NO3/c1-27-20(25)11-10-17(13-2-6-15(22)7-3-13)18-12-19(24-21(18)26)14-4-8-16(23)9-5-14/h2-9,12H,10-11H2,1H3,(H,24,26)/b18-17+
InChIKey
PTFGFQMJIYZONV-ISLYRVAYSA-N
Synonyms
1164494-73-8
(E)methyl4(4bromophenyl)4(5(4bromophenyl)2oxo1Hpyrrol3(2H)ylidene)butanoate
1164494738
4(4BROMOPHENYL)4(5(4BROMOPHENYL)2OXO12DIHYDROPYRROL(3E)YLIDENE)BUTYRICACIDMETHYLESTER
COC(=O)CCC(=C1C=C(NC1=O)c1ccc(cc1)Br)c1ccc(cc1)Br
COC(=O)CCC(=C1C=C(NC1=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
InChI=1SC21H17Br2NO3c12720(25)111017(132615(22)7313)181219(2421(18)26)144816(23)9514h2912H1011H21H3(H2426)b1817+
methyl(4E)4(4bromophenyl)4(5(4bromophenyl)2oxo12dihydro3Hpyrrol3ylidene)butanoate
METHYL(4E)4(4BROMOPHENYL)4(5(4BROMOPHENYL)2OXO1HPYRROL3YLIDENE)BUTANOATE
MFCD00682436
ZINC000000985734
ZINC00985734
ZINC985734

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Available files

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