Vitas-M small molecule compound
methyl (3aS,6R,7aR)-2-(4-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL542203
SMILES COC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)Br)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 C16H14BrNO4 MW 364.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrNO4/c1-21-15(20)12-11-6-7-16(22-11)8-18(14(19)13(12)16)10-4-2-9(17)3-5-10/h2-7,11-13H,8H2,1H3/t11-,12?,13+,16-/m1/s1InChIKey
GJNUEPFYEZLHPP-HCYBMXRASA-NSynonyms
1212467-56-5(3aS6R7aR)methyl2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1212467565
16398458
COC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)Br)O2
InChI=1SC16H14BrNO4c12115(20)12116716(2211)818(14(19)13(12)16)10429(17)3510h271113H8H21H3t1112?13+16m1s1
methyl(1~(S)5~(R)7~(R))3(4bromophenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
methyl(3aS6R7aR)2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD03662284
ZINC000002146124
ZINC000002146125
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