Vitas-M small molecule compound

ethyl (5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate

Catalog ID
STK996455
SMILES CCOC(=O)CN1C(=O)C2C(C1=O)CC(=CC2)Cl

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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 C12H14ClNO4 MW 271.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClNO4/c1-2-18-10(15)6-14-11(16)8-4-3-7(13)5-9(8)12(14)17/h3,8-9H,2,4-6H2,1H3
InChIKey
YLHGTTRHKJKCOG-UHFFFAOYSA-N
Synonyms
14253-95-3
14253953
CCOC(=O)CN1C(=O)C2CC=C(CC2C1=O)Cl
ethyl(5chloro13dioxo133a477ahexahydro2Hisoindol2yl)acetate
ethyl2(5chloro13dioxo3a477atetrahydro1Hisoindol2(3H)yl)acetate
ETHYL2(5CHLORO13DIOXO3A477ATETRAHYDROISOINDOL2YL)ACETATE
InChI=1SC12H14ClNO4c121810(15)61411(16)8437(13)59(8)12(14)17h389H246H21H3
MFCD00698974
ZINC000004289836
ZINC000100506176

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Available files

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