Vitas-M small molecule compound
3-[4-(difluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL265547
SMILES FC(Oc1ccc(cc1)c1c[n+](c2n1CCCCC2)c1cccc(c1)C(F)(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 C22H20F5N2O MW 423.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F5N2O/c23-21(24)30-18-10-8-15(9-11-18)19-14-29(20-7-2-1-3-12-28(19)20)17-6-4-5-16(13-17)22(25,26)27/h4-6,8-11,13-14,21H,1-3,7,12H2/q+1InChIKey
VWBJWUHWYHBKQY-UHFFFAOYSA-NSynonyms
3(4(difluoromethoxy)phenyl)1(3(trifluoromethyl)phenyl)6789tetrahydro5Himidazo(12a)azepin1ium
3(4(difluoromethoxy)phenyl)1(3(trifluoromethyl)phenyl)6789tetrahydro5Himidazo(12a)azepin4ium
C1CCC2=(N+)(CC1)C(=CN2C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)OC(F)F
FC(Oc1ccc(cc1)c1c(n+)(c2n1CCCCC2)c1cccc(c1)C(F)(F)F)F
InChI=1SC22H20F5N2Oc2321(24)301810815(91118)191429(2072131228(19)20)1764516(1317)22(2526)27h46811131421H13712H2q+1
ZINC000002684305
ZINC02684305
ZINC2684305
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