Vitas-M small molecule compound

methyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384201
SMILES COC(=O)C1C2C=CC3(C1C(=O)N(C3)C1CCCCC1)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 C16H21NO4 MW 291.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO4/c1-20-15(19)12-11-7-8-16(21-11)9-17(14(18)13(12)16)10-5-3-2-4-6-10/h7-8,10-13H,2-6,9H2,1H3
InChIKey
SZNNQBNLJSQTIT-UHFFFAOYSA-N
Synonyms
1005062-72-5
1005062725
COC(=O)C1C2C=CC3(C1C(=O)N(C3)C4CCCCC4)O2
InChI=1SC16H21NO4c12015(19)12117816(2111)917(14(18)13(12)16)105324610h781013H269H21H3
methyl2cyclohexyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD03680480
ZINC000100833730
ZINC000239212589

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Available files

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