Vitas-M small molecule compound

N-(4-chloro-2,5-dimethoxyphenyl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butanamide

Catalog ID
STK277488
SMILES COc1cc(Cl)c(cc1NC(=O)CCCN1C(=O)C2C(C1=O)CC=CC2)OC

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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 C20H23ClN2O5 MW 406.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O5/c1-27-16-11-15(17(28-2)10-14(16)21)22-18(24)8-5-9-23-19(25)12-6-3-4-7-13(12)20(23)26/h3-4,10-13H,5-9H2,1-2H3,(H,22,24)
InChIKey
MSRRYBIYCVHKDJ-UHFFFAOYSA-N
Synonyms

COC1=CC(=C(C=C1NC(=O)CCCN2C(=O)C3CC=CCC3C2=O)OC)Cl
InChI=1SC20H23ClN2O5c127161115(17(282)1014(16)21)2218(24)8592319(25)12634713(12)20(23)26h341013H59H212H3(H2224)
MFCD09268992
N(4chloro25dimethoxyphenyl)4(13dioxo133a477ahexahydro2Hisoindol2yl)butanamide
N(4chloro25dimethoxyphenyl)4(13dioxo3a477atetrahydroisoindol2yl)butanamide
ZINC000018149095
ZINC000102527680

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Available files

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