Vitas-M small molecule compound

4-(2-methylbutan-2-yl)phenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate

Catalog ID
STK258505
SMILES CCC(c1ccc(cc1)OC(=O)CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2)(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 C24H27NO4 MW 393.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO4/c1-4-24(2,3)13-5-7-14(8-6-13)29-19(26)12-25-22(27)20-15-9-10-16(18-11-17(15)18)21(20)23(25)28/h5-10,15-18,20-21H,4,11-12H2,1-3H3
InChIKey
MFNYRBDYWVKIDE-UHFFFAOYSA-N
Synonyms

4(2methylbutan2yl)phenyl(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetate
CCC(C)(C)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC24H27NO4c1424(23)135714(8613)2919(26)122522(27)201591016(181117(15)18)21(20)23(25)28h51015182021H41112H213H3
MFCD03578133
ZINC000239347160
ZINC000239347163

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Available files

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