Vitas-M small molecule compound
2-(biphenyl-4-yl)-1-[4-(difluoromethoxy)phenyl]-2-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL328175
SMILES FC(Oc1ccc(cc1)[N+]1=C2CCCCCN2CC1(O)c1ccc(cc1)c1ccccc1)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 C27H27F2N2O2 MW 449.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F2N2O2/c28-26(29)33-24-16-14-23(15-17-24)31-25-9-5-2-6-18-30(25)19-27(31,32)22-12-10-21(11-13-22)20-7-3-1-4-8-20/h1,3-4,7-8,10-17,26,32H,2,5-6,9,18-19H2/q+1InChIKey
MHTGZNOXIFKHJL-UHFFFAOYSA-NSynonyms
1(4(difluoromethoxy)phenyl)2(4phenylphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
2((11biphenyl)4yl)1(4(difluoromethoxy)phenyl)2hydroxy356789hexahydro2Himidazo(12a)azepin1iumbromide
2(biphenyl4yl)1(4(difluoromethoxy)phenyl)2hydroxy256789hexahydro3Himidazo(12a)azepin1ium
C1CCC2=(N+)(CC1)CC(N2C3=CC=C(C=C3)OC(F)F)(C4=CC=C(C=C4)C5=CC=CC=C5)O
FC(Oc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)c1ccccc1)F
FC(Oc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)c1ccccc1)F(Br)
InChI=1SC27H27F2N2O2c2826(29)3324161423(151724)312595261830(25)1927(3132)22121021(111322)207314820h1347810172632H25691819H2q+1
MFCD01960121
ZINC000013777639
ZINC000013777641
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