Vitas-M small molecule compound

ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK756954
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccccc1C(F)(F)F

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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 C26H23F3N2O5 MW 500.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23F3N2O5/c1-2-34-25(33)23-21(14-10-11-19-20(12-14)36-13-35-19)22-17(8-5-9-18(22)32)31(24(23)30)16-7-4-3-6-15(16)26(27,28)29/h3-4,6-7,10-12,21H,2,5,8-9,13,30H2,1H3
InChIKey
ABWXFNVHSXENQC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=CC=CC=C5C(F)(F)F)N
ethyl2amino4(13benzodioxol5yl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ethyl2amino4(13benzodioxol5yl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carboxylate
InChI=1SC26H23F3N2O5c123425(33)2321(1410111920(1214)36133519)2217(85918(22)32)31(24(23)30)16743615(16)26(2728)29h3467101221H25891330H21H3
MFCD01239700
ZINC000001445557
ZINC000001445558

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Available files

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