Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)cyclohexyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK268597
SMILES CC1CCC(C(C1)OC(=O)c1ccc(cc1)N1C(=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 C26H31Br2NO4 MW 581.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31Br2NO4/c1-12(2)16-9-4-13(3)10-19(16)33-26(32)14-5-7-15(8-6-14)29-24(30)20-17-11-18(21(20)25(29)31)23(28)22(17)27/h5-8,12-13,16-23H,4,9-11H2,1-3H3InChIKey
ARVQVDZJCBAPMF-UHFFFAOYSA-NSynonyms
2isopropyl5methylcyclohexyl4((3aR4R7S7aS)56dibromo13dioxohexahydro1H47methanoisoindol2(3H)yl)benzoate
5methyl2(propan2yl)cyclohexyl4(56dibromo13dioxooctahydro2H47methanoisoindol2yl)benzoate
CC1CCC(C(C1)OC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1C(C@H)2C(C1Br)Br)C(C)C
CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C(C5Br)Br)C(C)C
InChI=1SC26H31Br2NO4c112(2)169413(3)1019(16)3326(32)145715(8614)2924(30)20171118(21(20)25(29)31)23(28)22(17)27h5812131623H4911H213H3
MFCD01174694
ZINC000239274796
ZINC000239274799
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