Vitas-M small molecule compound

butyl (3aS,6R,7aR)-2-(4-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STL537793
SMILES CCCCOC(=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 C19H20BrNO4 MW 406.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrNO4/c1-2-3-10-24-18(23)15-14-8-9-19(25-14)11-21(17(22)16(15)19)13-6-4-12(20)5-7-13/h4-9,14-16H,2-3,10-11H2,1H3/t14-,15?,16+,19-/m1/s1
InChIKey
RCQLXQWILYUYGW-QBKPQXPVSA-N
Synonyms
956815-16-0
(3aS6R7aR)butyl2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398430
956815160
butyl(1~(S)5~(R)7~(R))3(4bromophenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
butyl(3aS6R7aR)2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)Br)O2
InChI=1SC19H20BrNO4c123102418(23)15148919(2514)1121(17(22)16(15)19)136412(20)5713h491416H231011H21H3t1415?16+19m1s1
MFCD03662129
ZINC000002145870
ZINC000002145872

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Available files

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