Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)cyclohexyl (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate
Catalog ID
STK268564
SMILES CC1CCC(C(C1)OC(=O)CN1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)C(C)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 C21H29Br2NO4 MW 519.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29Br2NO4/c1-9(2)11-5-4-10(3)6-14(11)28-15(25)8-24-20(26)16-12-7-13(17(16)21(24)27)19(23)18(12)22/h9-14,16-19H,4-8H2,1-3H3InChIKey
ZTWWGNIGPQYILY-UHFFFAOYSA-NSynonyms
2isopropyl5methylcyclohexyl2((3aR4R7S7aS)56dibromo13dioxohexahydro1H47methanoisoindol2(3H)yl)acetate
5methyl2(propan2yl)cyclohexyl(56dibromo13dioxooctahydro2H47methanoisoindol2yl)acetate
CC1CCC(C(C1)OC(=O)CN1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1C(C@H)2C(C1Br)Br)C(C)C
CC1CCC(C(C1)OC(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br)C(C)C
InChI=1SC21H29Br2NO4c19(2)115410(3)614(11)2815(25)82420(26)1612713(17(16)21(24)27)19(23)18(12)22h9141619H48H213H3
MFCD01174508
ZINC000239439331
ZINC000239439334
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