Vitas-M small molecule compound

ethyl 2-(furan-2-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384161
SMILES CCOC(=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 C16H17NO5 MW 303.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5/c1-2-20-15(19)12-11-5-6-16(22-11)9-17(14(18)13(12)16)8-10-4-3-7-21-10/h3-7,11-13H,2,8-9H2,1H3
InChIKey
UFTQIECOROIOFO-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)ethyl2(furan2ylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccco1)O2
CCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CO4)O2
ethyl2(furan2ylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC16H17NO5c122015(19)12115616(2211)917(14(18)13(12)16)8104372110h371113H289H21H3
MFCD03828316
ZINC000100846459
ZINC000239415362

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Available files

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