Vitas-M small molecule compound

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

Catalog ID
STK384101
SMILES CCCCOC(=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 C19H20ClNO4 MW 361.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClNO4/c1-2-3-9-24-18(23)15-14-7-8-19(25-14)11-21(17(22)16(15)19)13-6-4-5-12(20)10-13/h4-8,10,14-16H,2-3,9,11H2,1H3
InChIKey
VDJAQCCFKHDKBN-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)butyl2(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
butyl2(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc(c1)Cl)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC(=CC=C4)Cl)O2
InChI=1SC19H20ClNO4c12392418(23)15147819(2514)1121(17(22)16(15)19)1364512(20)1013h48101416H23911H21H3
MFCD04041440
ZINC000226888154
ZINC000239231213

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Available files

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