Vitas-M small molecule compound

propyl 4-{[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoyl]amino}benzoate

Catalog ID
STK275699
SMILES CCCOC(=O)c1ccc(cc1)NC(=O)CCN1C(=O)C2C(C1=O)C1C=CC2C2C1C2

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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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-2-11-31-24(30)13-3-5-14(6-4-13)25-19(27)9-10-26-22(28)20-15-7-8-16(18-12-17(15)18)21(20)23(26)29/h3-8,15-18,20-21H,2,9-12H2,1H3,(H,25,27)
InChIKey
HQGWYDIJLPPTNX-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC24H26N2O5c12113124(30)133514(6413)2519(27)9102622(28)20157816(181217(15)18)21(20)23(26)29h3815182021H2912H21H3(H2527)
MFCD03103439
propyl4((3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoyl)amino)benzoate
ZINC000239309526
ZINC000239309529

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Available files

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