Vitas-M small molecule compound

methyl {1-[2-(4-fluorophenyl)-1H-indol-3-yl]-3-oxo-1,3-dihydro-2H-isoindol-2-yl}acetate

Catalog ID
STK234971
SMILES COC(=O)CN1C(=O)c2c(C1c1c([nH]c3c1cccc3)c1ccc(cc1)F)cccc2

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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 C25H19FN2O3 MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O3/c1-31-21(29)14-28-24(17-6-2-3-7-18(17)25(28)30)22-19-8-4-5-9-20(19)27-23(22)15-10-12-16(26)13-11-15/h2-13,24,27H,14H2,1H3
InChIKey
CJXITHWNHJJKNN-UHFFFAOYSA-N
Synonyms

COC(=O)CN1C(=O)c2c(C1c1c((nH)c3c1cccc3)c1ccc(cc1)F)cccc2
COC(=O)CN1C(C2=CC=CC=C2C1=O)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)F
InChI=1SC25H19FN2O3c13121(29)142824(17623718(17)25(28)30)2219845920(19)2723(22)15101216(26)131115h2132427H14H21H3
methyl(1(2(4fluorophenyl)1Hindol3yl)3oxo13dihydro2Hisoindol2yl)acetate
methyl2(1(2(4fluorophenyl)1Hindol3yl)3oxo1Hisoindol2yl)acetate
MFCD08680955
ZINC000009189900
ZINC000009189901

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Available files

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