Vitas-M small molecule compound

propyl 2-(4-methylbenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384167
SMILES CCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1ccc(cc1)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/c1-3-10-24-19(23)16-15-8-9-20(25-15)12-21(18(22)17(16)20)11-14-6-4-13(2)5-7-14/h4-9,15-17H,3,10-12H2,1-2H3
InChIKey
ZNPLECSPVQREIL-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)propyl2(4methylbenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccc(cc1)C)O2
CCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=C(C=C4)C)O2
InChI=1SC20H23NO4c13102419(23)16158920(2515)1221(18(22)17(16)20)11146413(2)5714h491517H31012H212H3
MFCD04041476
propyl2(4methylbenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000100846504
ZINC000239439173

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.