Vitas-M small molecule compound

N-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-3-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

Catalog ID
STK286818
SMILES COc1cccc(c1)C(=O)N(c1cccc(c1)C(F)(F)F)CN1C(=O)C2C(C1=O)C1CC2C=C1

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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 C25H21F3N2O4 MW 470.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F3N2O4/c1-34-19-7-2-4-16(11-19)22(31)29(18-6-3-5-17(12-18)25(26,27)28)13-30-23(32)20-14-8-9-15(10-14)21(20)24(30)33/h2-9,11-12,14-15,20-21H,10,13H2,1H3
InChIKey
ULLLQKAXELGNSP-UHFFFAOYSA-N
Synonyms

COC1=CC=CC(=C1)C(=O)N(CN2C(=O)C3C4CC(C3C2=O)C=C4)C5=CC=CC(=C5)C(F)(F)F
InChI=1SC25H21F3N2O4c1341972416(1119)22(31)29(1863517(1218)25(2627)28)133023(32)20148915(1014)21(20)24(30)33h29111214152021H1013H21H3
MFCD03901072
N((13dioxo133a477ahexahydro2H47methanoisoindol2yl)methyl)3methoxyN(3(trifluoromethyl)phenyl)benzamide
ZINC000102517753
ZINC000102650590

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Available files

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