Vitas-M small molecule compound

propyl 1-oxo-2-(tetrahydrofuran-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384113
SMILES CCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC1CCCO1)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 C17H23NO5 MW 321.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23NO5/c1-2-7-22-16(20)13-12-5-6-17(23-12)10-18(15(19)14(13)17)9-11-4-3-8-21-11/h5-6,11-14H,2-4,7-10H2,1H3
InChIKey
CWKHMXLOOBRICA-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)propyl1oxo2((tetrahydrofuran2yl)methyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CC1CCCO1)O2
CCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4CCCO4)O2
InChI=1SC17H23NO5c1272216(20)13125617(2312)1018(15(19)14(13)17)9114382111h561114H24710H21H3
MFCD04041449
propyl1oxo2(tetrahydrofuran2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000226724095
ZINC000239287482

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Available files

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