Vitas-M small molecule compound

benzyl 2-cyclopentyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STL234004
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)C1CCCC1)O2)OCc1ccccc1

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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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c23-19-18-17(20(24)25-12-14-6-2-1-3-7-14)16-10-11-21(18,26-16)13-22(19)15-8-4-5-9-15/h1-3,6-7,10-11,15-18H,4-5,8-9,12-13H2
InChIKey
KPKARCONNOSXEL-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)benzyl2cyclopentyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
benzyl2cyclopentyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
C1CCC(C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)OCC5=CC=CC=C5
InChI=1SC21H23NO4c23191817(20(24)2512146213714)16101121(182616)1322(19)15845915h136710111518H45891213H2
MFCD24858412
O=C(C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C1CCCC1)O2)OCc1ccccc1
ZINC000229893703
ZINC000247387490

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Available files

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