Vitas-M small molecule compound
ethyl (3aS,6R,7aR)-2-(naphthalen-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL548195
SMILES CCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1cccc3c1cccc3)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 C21H19NO4 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4/c1-2-25-20(24)17-16-10-11-21(26-16)12-22(19(23)18(17)21)15-9-5-7-13-6-3-4-8-14(13)15/h3-11,16-18H,2,12H2,1H3/t16-,17?,18+,21-/m1/s1InChIKey
DFMFJVRJOLJABR-PJNGNRRGSA-NSynonyms
956991-31-4(3aS6R7aR)ethyl2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398453
956991314
CCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc3c1cccc3)O2
ethyl(1~(S)5~(R)7~(R))3naphthalen1yl4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
ethyl(3aS6R7aR)2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC21H19NO4c122520(24)1716101121(2616)1222(19(23)18(17)21)1595713634814(13)15h3111618H212H21H3t1617?18+21m1s1
MFCD03662265
ZINC000000488897
ZINC000000488898
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