Vitas-M small molecule compound

butyl 2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384183
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)OC)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 C20H23NO5 MW 357.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5/c1-3-4-11-25-19(23)16-15-9-10-20(26-15)12-21(18(22)17(16)20)13-5-7-14(24-2)8-6-13/h5-10,15-17H,3-4,11-12H2,1-2H3
InChIKey
NVALCGNAJQNXPI-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)butyl2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
butyl2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)OC)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=C(C=C4)OC)O2
InChI=1SC20H23NO5c134112519(23)161591020(2615)1221(18(22)17(16)20)135714(242)8613h5101517H341112H212H3
MFCD03849272
ZINC000169620109
ZINC000239165285

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Available files

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