Vitas-M small molecule compound
propan-2-yl (3aS,6R,7aR)-2-(4-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL540582
SMILES CC(OC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)Br)O2)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 C18H18BrNO4 MW 392.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO4/c1-10(2)23-17(22)14-13-7-8-18(24-13)9-20(16(21)15(14)18)12-5-3-11(19)4-6-12/h3-8,10,13-15H,9H2,1-2H3/t13-,14?,15+,18-/m1/s1InChIKey
VOUYORCKYNDAJI-NYELBAIQSA-NSynonyms
956964-98-0(3aS6R7aR)isopropyl2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398406
956964980
CC(OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)Br)O2)C
InChI=1SC18H18BrNO4c110(2)2317(22)14137818(2413)920(16(21)15(14)18)125311(19)4612h38101315H9H212H3t1314?15+18m1s1
MFCD03662041
propan2yl(1~(S)5~(R)7~(R))3(4bromophenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
propan2yl(3aS6R7aR)2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000002145684
ZINC000002145685
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