Vitas-M small molecule compound

2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK275603
SMILES Fc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1C

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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 C25H20FNO5 MW 433.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FNO5/c1-13-10-16-11-19(13)22-21(16)23(29)27(24(22)30)18-8-4-15(5-9-18)25(31)32-12-20(28)14-2-6-17(26)7-3-14/h2-10,16,19,21-22H,11-12H2,1H3
InChIKey
ZYNFFYIKOUYRTA-UHFFFAOYSA-N
Synonyms

2(4fluorophenyl)2oxoethyl4(5methyl13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC1=CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)F
InChI=1SC25H20FNO5c11310161119(13)2221(16)23(29)27(24(22)30)188415(5918)25(31)321220(28)142617(26)7314h21016192122H1112H21H3
MFCD03037409
ZINC000101227200
ZINC000102085401

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Available files

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