Vitas-M small molecule compound

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

Catalog ID
STK384189
SMILES COC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccccc1OC)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 C17H17NO5 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO5/c1-21-11-6-4-3-5-10(11)18-9-17-8-7-12(23-17)13(16(20)22-2)14(17)15(18)19/h3-8,12-14H,9H2,1-2H3
InChIKey
BIRNAPJPYSZWAB-UHFFFAOYSA-N
Synonyms

(3aR6S7aS)methyl2(2methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
COC(=O)C1(C@@H)2C=C(C@)3((C@H)1C(=O)N(C3)c1ccccc1OC)O2
COC1=CC=CC=C1N2CC34C=CC(O3)C(C4C2=O)C(=O)OC
InChI=1SC17H17NO5c12111643510(11)189178712(2317)13(16(20)222)14(17)15(18)19h381214H9H212H3
methyl2(2methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD03799009
ZINC000100634814
ZINC000239025280

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Available files

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