Vitas-M small molecule compound

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

Catalog ID
STK257888
SMILES COc1ccc(cc1)NC(=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 C25H24N2O4 MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O4/c1-31-19-11-9-18(10-12-19)26-23(28)20(13-15-5-3-2-4-6-15)27-24(29)21-16-7-8-17(14-16)22(21)25(27)30/h2-12,16-17,20-22H,13-14H2,1H3,(H,26,28)
InChIKey
CJRBEPKBGJUMOY-UHFFFAOYSA-N
Synonyms

2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)N(4METHOXYPHENYL)3PHENYLPROPANAMIDE
COC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC25H24N2O4c1311911918(101219)2623(28)20(13155324615)2724(29)21167817(1416)22(21)25(27)30h21216172022H1314H21H3(H2628)
MFCD03185335
ZINC000101420850
ZINC000239030834

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Available files

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