Vitas-M small molecule compound

3-{1,3-dioxo-5-[(2-phenylbutanoyl)amino]-1,3-dihydro-2H-isoindol-2-yl}propanoic acid

Catalog ID
STK244390
SMILES CCC(c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N(C2=O)CCC(=O)O

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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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-2-15(13-6-4-3-5-7-13)19(26)22-14-8-9-16-17(12-14)21(28)23(20(16)27)11-10-18(24)25/h3-9,12,15H,2,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKey
FYOGODRHQMCRDY-UHFFFAOYSA-N
Synonyms

3(13dioxo5((2phenylbutanoyl)amino)13dihydro2Hisoindol2yl)propanoicacid
3(13dioxo5(2phenylbutanoylamino)isoindol2yl)propanoicacid
CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O
InChI=1SC21H20N2O5c1215(136435713)19(26)2214891617(1214)21(28)23(20(16)27)111018(24)25h391215H21011H21H3(H2226)(H2425)
MFCD07114992
ZINC000013843383
ZINC000013843386

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Available files

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