Vitas-M small molecule compound

2-(4-bromophenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)cyclohexanecarboxylate

Catalog ID
STK359382
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2CC1)OCC(=O)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 C24H26BrNO5 MW 488.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26BrNO5/c25-17-7-3-13(4-8-17)19(27)12-31-24(30)14-5-9-18(10-6-14)26-22(28)20-15-1-2-16(11-15)21(20)23(26)29/h3-4,7-8,14-16,18,20-21H,1-2,5-6,9-12H2
InChIKey
PYOJHEVOCQJDAK-UHFFFAOYSA-N
Synonyms

2(4bromophenyl)2oxoethyl4(13dioxooctahydro2H47methanoisoindol2yl)cyclohexanecarboxylate
C1CC(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)Br)N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC24H26BrNO5c25177313(4817)19(27)123124(30)145918(10614)2622(28)20151216(1115)21(20)23(26)29h34781416182021H1256912H2
MFCD02915353
ZINC000101222372
ZINC000102079708

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Available files

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