Vitas-M small molecule compound
benzyl 2-(4-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384200
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)Cl)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 C22H18ClNO4 MW 395.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClNO4/c23-15-6-8-16(9-7-15)24-13-22-11-10-17(28-22)18(19(22)20(24)25)21(26)27-12-14-4-2-1-3-5-14/h1-11,17-19H,12-13H2InChIKey
ITOQZFZYKJYLSZ-UHFFFAOYSA-NSynonyms
1212280-65-31212280653
benzyl2(4chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
C1C23C=CC(O2)C(C3C(=O)N1C4=CC=C(C=C4)Cl)C(=O)OCC5=CC=CC=C5
InChI=1SC22H18ClNO4c23156816(9715)241322111017(2822)18(19(22)20(24)25)21(26)2712144213514h1111719H1213H2
MFCD03680117
ZINC000100833726
ZINC000239119530
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