Vitas-M small molecule compound
pentyl 2-[1-(4-bromophenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384221
SMILES CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1ccc(cc1)Br)C)O2
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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 C22H26BrNO4 MW 448.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO4/c1-3-4-5-12-27-21(26)18-17-10-11-22(28-17)13-24(20(25)19(18)22)14(2)15-6-8-16(23)9-7-15/h6-11,14,17-19H,3-5,12-13H2,1-2H3InChIKey
NEOIYXVIDPNKRZ-UHFFFAOYSA-NSynonyms
(3aS6R7aR)pentyl2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C(c1ccc(cc1)Br)C)O2
CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)Br)O2
InChI=1SC22H26BrNO4c1345122721(26)1817101122(2817)1324(20(25)19(18)22)14(2)156816(23)9715h611141719H351213H212H3
MFCD04041484
pentyl2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000226889072
ZINC000239164926
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