Vitas-M small molecule compound

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

Catalog ID
STK160037
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)Br)Cc1ccc(cc1)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 C22H20BrNO3 MW 426.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO3/c1-14-4-6-17(7-5-14)13-24-15(2)20(22(26)27-3)19(21(24)25)12-16-8-10-18(23)11-9-16/h4-12H,13H2,1-3H3/b19-12-
InChIKey
YRFMTONVAJDDRA-UNOMPAQXSA-N
Synonyms

CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC=C(C=C3)Br)C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)Br)Cc1ccc(cc1)C
InChI=1SC22H20BrNO3c1144617(7514)132415(2)20(22(26)273)19(21(24)25)121681018(23)11916h412H13H213H3b1912
METHYL(4Z)4((4BROMOPHENYL)METHYLIDENE)2METHYL1((4METHYLPHENYL)METHYL)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(4BROMOBENZYLIDENE)2METHYL1(4METHYLBENZYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD07565938
ZINC000009845881
ZINC09845881
ZINC9845881

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Available files

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