Vitas-M small molecule compound

butyl 2-(3-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384154
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1cccc(c1)C)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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-3-4-10-24-19(23)16-15-8-9-20(25-15)12-21(18(22)17(16)20)14-7-5-6-13(2)11-14/h5-9,11,15-17H,3-4,10,12H2,1-2H3
InChIKey
PGXMGARYMQEPQY-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)butyl1oxo2(mtolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
butyl2(3methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc(c1)C)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=CC(=C4)C)O2
InChI=1SC20H23NO4c134102419(23)16158920(2515)1221(18(22)17(16)20)1475613(2)1114h59111517H341012H212H3
MFCD03849262
ZINC000226756645
ZINC000239174104

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Available files

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