Vitas-M small molecule compound
3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl hexanoate
Catalog ID
STK268616
SMILES CCCCCC(=O)Oc1cccc(c1)N1C(=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 C21H23Br2NO4 MW 513.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Br2NO4/c1-2-3-4-8-15(25)28-12-7-5-6-11(9-12)24-20(26)16-13-10-14(17(16)21(24)27)19(23)18(13)22/h5-7,9,13-14,16-19H,2-4,8,10H2,1H3InChIKey
QUKAOSSKAAGYFM-UHFFFAOYSA-NSynonyms
3(56dibromo13dioxooctahydro2H47methanoisoindol2yl)phenylhexanoate
CCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC21H23Br2NO4c1234815(25)281275611(912)2420(26)16131014(17(16)21(24)27)19(23)18(13)22h57913141619H24810H21H3
MFCD01174773
ZINC000239402562
ZINC000239402565
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