Vitas-M small molecule compound

propan-2-yl 2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384091
SMILES CCc1ccccc1N1CC23C(C1=O)C(C(O3)C=C2)C(=O)OC(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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-4-13-7-5-6-8-14(13)21-11-20-10-9-15(25-20)16(17(20)18(21)22)19(23)24-12(2)3/h5-10,12,15-17H,4,11H2,1-3H3
InChIKey
IWWGFDIYSYVAMQ-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)isopropyl2(2ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCC1=CC=CC=C1N2CC34C=CC(O3)C(C4C2=O)C(=O)OC(C)C
CCc1ccccc1N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OC(C)C
InChI=1SC20H23NO4c1413756814(13)21112010915(2520)16(17(20)18(21)22)19(23)2412(2)3h510121517H411H213H3
MFCD04041433
propan2yl2(2ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000000803170
ZINC000013471445

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Available files

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