Vitas-M small molecule compound
1-(4-fluorophenyl)-2-{3,4,5,6-tetrahydro-2H-azepin-7-yl[3-(trifluoromethyl)phenyl]amino}ethanone
Catalog ID
STL229234
SMILES Fc1ccc(cc1)C(=O)CN(c1cccc(c1)C(F)(F)F)C1=NCCCCC1
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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 C21H20F4N2O MW 392.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F4N2O/c22-17-10-8-15(9-11-17)19(28)14-27(20-7-2-1-3-12-26-20)18-6-4-5-16(13-18)21(23,24)25/h4-6,8-11,13H,1-3,7,12,14H2InChIKey
JVSHTVUZSIZVJH-UHFFFAOYSA-NSynonyms
1(4fluorophenyl)2(3456tetrahydro2Hazepin7yl(3(trifluoromethyl)phenyl)amino)ethanone
1(4fluorophenyl)2(N(3456tetrahydro2Hazepin7yl)3(trifluoromethyl)anilino)ethanone
C1CCC(=NCC1)N(CC(=O)C2=CC=C(C=C2)F)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC21H20F4N2Oc221710815(91117)19(28)1427(207213122620)1864516(1318)21(2324)25h4681113H1371214H2
MFCD06736260
ZINC000008418291
ZINC8418291
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