Vitas-M small molecule compound
(3aS,6R,7aR)-2-(4-methoxyphenyl)-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL526149
SMILES COc1ccc(cc1)N1C(=O)[C@H]2[C@]3(C1CC(=C)C)C=C[C@@H](C2C(=O)O)O3
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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 C20H21NO5 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5/c1-11(2)10-15-20-9-8-14(26-20)16(19(23)24)17(20)18(22)21(15)12-4-6-13(25-3)7-5-12/h4-9,14-17H,1,10H2,2-3H3,(H,23,24)/t14-,15?,16?,17+,20-/m1/s1InChIKey
BMKMRTFBOUSADG-RKROSOFCSA-NSynonyms
1212446-56-4(1~(S)5~(R)7~(R))3(4methoxyphenyl)2(2methylprop2enyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylicacid
(3aS6R7aR)2(4methoxyphenyl)3(2methylallyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
(3aS6R7aR)2(4methoxyphenyl)3(2methylprop2en1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1212446564
16397243
COc1ccc(cc1)N1C(=O)(C@H)2(C@)3(C1CC(=C)C)C=C(C@H)(C2C(=O)O)O3
InChI=1SC20H21NO5c111(2)1015209814(2620)16(19(23)24)17(20)18(22)21(15)124613(253)7512h491417H110H223H3(H2324)t1415?16?17+20m1s1
MFCD02925423
ZINC000003231239
ZINC000004028915
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