Vitas-M small molecule compound

methyl {1-[3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]piperidin-4-yl}acetate

Catalog ID
STL311423
SMILES COC(=O)CC1CCN(CC1)C(=O)C(N1Cc2c(C1=O)cccc2)C(C)C

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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 C21H28N2O4 MW 372.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O4/c1-14(2)19(23-13-16-6-4-5-7-17(16)20(23)25)21(26)22-10-8-15(9-11-22)12-18(24)27-3/h4-7,14-15,19H,8-13H2,1-3H3
InChIKey
YATZDFFKJRMIPM-UHFFFAOYSA-N
Synonyms

(S)methyl2(1(3methyl2(1oxoisoindolin2yl)butanoyl)piperidin4yl)acetate
CC(C)C(C(=O)N1CCC(CC1)CC(=O)OC)N2CC3=CC=CC=C3C2=O
COC(=O)CC1CCN(CC1)C(=O)(C@@H)(N1Cc2c(C1=O)cccc2)C(C)C
InChI=1SC21H28N2O4c114(2)19(231316645717(16)20(23)25)21(26)2210815(91122)1218(24)273h47141519H813H213H3
methyl(1(3methyl2(1oxo13dihydro2Hisoindol2yl)butanoyl)piperidin4yl)acetate
methyl2(1(3methyl2(3oxo1Hisoindol2yl)butanoyl)piperidin4yl)acetate
MFCD28026089
ZINC000095474048
ZINC000095474049

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Available files

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