Vitas-M small molecule compound

2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-ethylphenyl)-3-phenylpropanamide

Catalog ID
STK257975
SMILES CCc1ccccc1NC(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1ccccc1

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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 C26H26N2O3 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3/c1-2-17-10-6-7-11-20(17)27-24(29)21(14-16-8-4-3-5-9-16)28-25(30)22-18-12-13-19(15-18)23(22)26(28)31/h3-13,18-19,21-23H,2,14-15H2,1H3,(H,27,29)
InChIKey
JTOIVJRANRGGDG-UHFFFAOYSA-N
Synonyms

2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)N(2ETHYLPHENYL)3PHENYLPROPANAMIDE
CCC1=CC=CC=C1NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC26H26N2O3c121710671120(17)2724(29)21(14168435916)2825(30)2218121319(1518)23(22)26(28)31h31318192123H21415H21H3(H2729)
MFCD03186491
ZINC000102549810
ZINC000245310689

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Available files

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