Vitas-M small molecule compound

propyl 2-(3-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384099
SMILES CCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1cccc(c1)Cl)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 C18H18ClNO4 MW 347.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClNO4/c1-2-8-23-17(22)14-13-6-7-18(24-13)10-20(16(21)15(14)18)12-5-3-4-11(19)9-12/h3-7,9,13-15H,2,8,10H2,1H3
InChIKey
BZUCJYMKUDKCIT-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)propyl2(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc(c1)Cl)O2
CCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC(=CC=C4)Cl)O2
InChI=1SC18H18ClNO4c1282317(22)14136718(2413)1020(16(21)15(14)18)1253411(19)912h3791315H2810H21H3
MFCD03849251
propyl2(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000100885653
ZINC000239284761

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Available files

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