Vitas-M small molecule compound

N-(4-bromo-2-methylphenyl)-6-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)hexanamide

Catalog ID
STK275688
SMILES O=C(Nc1ccc(cc1C)Br)CCCCCN1C(=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 C22H25Br3N2O3 MW 605.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25Br3N2O3/c1-11-9-12(23)6-7-15(11)26-16(28)5-3-2-4-8-27-21(29)17-13-10-14(18(17)22(27)30)20(25)19(13)24/h6-7,9,13-14,17-20H,2-5,8,10H2,1H3,(H,26,28)
InChIKey
SFGVSKXRNGQQKD-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)Br)NC(=O)CCCCCN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC22H25Br3N2O3c111912(23)6715(11)2616(28)532482721(29)17131014(18(17)22(27)30)20(25)19(13)24h67913141720H25810H21H3(H2628)
MFCD03104011
N(4bromo2methylphenyl)6(56dibromo13dioxooctahydro2H47methanoisoindol2yl)hexanamide
ZINC000239203360
ZINC000239203363

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Available files

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