Vitas-M small molecule compound

2-[2-(3,4-diethoxyphenyl)ethyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

Catalog ID
STK311734
SMILES CCOc1cc(CCN2C(=O)C3C(C2=O)C2OC3CC2)ccc1OCC

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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 C20H25NO5 MW 359.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5/c1-3-24-13-6-5-12(11-16(13)25-4-2)9-10-21-19(22)17-14-7-8-15(26-14)18(17)20(21)23/h5-6,11,14-15,17-18H,3-4,7-10H2,1-2H3
InChIKey
JFSDGUHUVNAULE-UHFFFAOYSA-N
Synonyms
1052576-65-4
1052576654
2(2(34diethoxyphenyl)ethyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(2(34diethoxyphenyl)ethyl)hexahydro1H47epoxyisoindole13(2H)dione
CCOC1=C(C=C(C=C1)CCN2C(=O)C3C4CCC(C3C2=O)O4)OCC
InChI=1SC20H25NO5c1324136512(1116(13)2542)9102119(22)17147815(2614)18(17)20(21)23h561114151718H34710H212H3
MFCD04139887
ZINC000103155541
ZINC000103155547

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Available files

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