Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl 2-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK268652
SMILES BrC1C(Br)C2CC1C1C2C(=O)N(C1=O)c1ccccc1C(=O)OCC(=O)c1ccc(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 C25H21Br2NO5 MW 575.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Br2NO5/c1-12-6-8-13(9-7-12)18(29)11-33-25(32)14-4-2-3-5-17(14)28-23(30)19-15-10-16(20(19)24(28)31)22(27)21(15)26/h2-9,15-16,19-22H,10-11H2,1H3InChIKey
JUYPWMMOAJWJNI-UHFFFAOYSA-NSynonyms
2(4methylphenyl)2oxoethyl2(56dibromo13dioxooctahydro2H47methanoisoindol2yl)benzoate
CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4C5CC(C4C3=O)C(C5Br)Br
InChI=1SC25H21Br2NO5c1126813(9712)18(29)113325(32)14423517(14)2823(30)19151016(20(19)24(28)31)22(27)21(15)26h2915161922H1011H21H3
MFCD01174835
ZINC000102660691
ZINC000245380745
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