Vitas-M small molecule compound

methyl 4-(5-{(E)-[1-(4-bromobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)-3-methylbenzoate

Catalog ID
STK079152
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C\1/NC(=O)N(C1=O)Cc1ccc(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 C24H19BrN2O5 MW 495.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrN2O5/c1-14-11-16(23(29)31-2)5-9-19(14)21-10-8-18(32-21)12-20-22(28)27(24(30)26-20)13-15-3-6-17(25)7-4-15/h3-12H,13H2,1-2H3,(H,26,30)/b20-12+
InChIKey
SAMOZRUTBMIDHN-UDWIEESQSA-N
Synonyms

CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Br
COC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1NC(=O)N(C1=O)Cc1ccc(cc1)Br
InChI=1SC24H19BrN2O5c1141116(23(29)312)5919(14)2110818(3221)122022(28)27(24(30)2620)13153617(25)7415h312H13H212H3(H2630)b2012+
METHYL4(5((E)(1((4BROMOPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
METHYL4(5((E)(1(4BROMOBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
MFCD03141080
STK079152
ZINC000001166484
ZINC01166484
ZINC1166484

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Available files

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