Vitas-M small molecule compound

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

Catalog ID
STK384116
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CCc1ccccc1)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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-2-3-13-25-20(24)17-16-9-11-21(26-16)14-22(19(23)18(17)21)12-10-15-7-5-4-6-8-15/h4-9,11,16-18H,2-3,10,12-14H2,1H3
InChIKey
BJLOPVKFECOISX-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)butyl1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxylate
butyl1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1ccccc1)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CCC4=CC=CC=C4)O2
InChI=1SC21H25NO4c123132520(24)171691121(2616)1422(19(23)18(17)21)1210157546815h49111618H23101214H21H3
MFCD04041969
ZINC000100885922
ZINC000239025303

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Available files

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