Vitas-M small molecule compound

2-methylpropyl 2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384227
SMILES COc1ccc(cc1)C(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)OCC(C)C)C

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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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-13(2)11-27-21(25)18-17-9-10-22(28-17)12-23(20(24)19(18)22)14(3)15-5-7-16(26-4)8-6-15/h5-10,13-14,17-19H,11-12H2,1-4H3
InChIKey
VTUBHADBCXCYLY-UHFFFAOYSA-N
Synonyms
1164458-14-3
(3aS6R7aR)isobutyl2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1164458143
2methylpropyl2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)OC)O2
COc1ccc(cc1)C(N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCC(C)C)C
InChI=1SC22H27NO5c113(2)112721(25)181791022(2817)1223(20(24)19(18)22)14(3)155716(264)8615h51013141719H1112H214H3
MFCD04041487
ZINC000002106260
ZINC000005825543

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Available files

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