Vitas-M small molecule compound

methyl 2,6-bis(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)hexanoate

Catalog ID
STK675709
SMILES COC(=O)C(N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)CCCCN1C(=O)C2C(C1=O)C1CC2C(C1Br)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 C25H28Br4N2O6 MW 772.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28Br4N2O6/c1-37-25(36)12(31-23(34)15-10-7-11(16(15)24(31)35)20(29)19(10)28)4-2-3-5-30-21(32)13-8-6-9(14(13)22(30)33)18(27)17(8)26/h8-20H,2-7H2,1H3
InChIKey
LANQVKCPEZBYOX-UHFFFAOYSA-N
Synonyms

COC(=O)C(CCCCN1C(=O)C2C3CC(C2C1=O)C(C3Br)Br)N4C(=O)C5C6CC(C5C4=O)C(C6Br)Br
InChI=1SC25H28Br4N2O6c13725(36)12(3123(34)1510711(16(15)24(31)35)20(29)19(10)28)42353021(32)13869(14(13)22(30)33)18(27)17(8)26h820H27H21H3
methyl26bis(56dibromo13dioxooctahydro2H47methanoisoindol2yl)hexanoate
MFCD01122750
ZINC000245255700
ZINC000245255703

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Available files

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