Vitas-M small molecule compound

2-[4-(difluoromethoxy)phenyl]-1-(4-ethoxyphenyl)-2-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

Catalog ID
STL327904
SMILES CCOc1ccc(cc1)[N+]1=C2CCCCCN2CC1(O)c1ccc(cc1)OC(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 C23H27F2N2O3 MW 417.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27F2N2O3/c1-2-29-19-13-9-18(10-14-19)27-21-6-4-3-5-15-26(21)16-23(27,28)17-7-11-20(12-8-17)30-22(24)25/h7-14,22,28H,2-6,15-16H2,1H3/q+1
InChIKey
LWUPPCQEAPWKDY-UHFFFAOYSA-N
Synonyms

2(4(difluoromethoxy)phenyl)1(4ethoxyphenyl)2hydroxy256789hexahydro3Himidazo(12a)azepin1ium
2(4(difluoromethoxy)phenyl)1(4ethoxyphenyl)2hydroxy356789hexahydro2Himidazo(12a)azepin1iumbromide
2(4(difluoromethoxy)phenyl)1(4ethoxyphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
CCOC1=CC=C(C=C1)N2C3=(N+)(CCCCC3)CC2(C4=CC=C(C=C4)OC(F)F)O
CCOc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)OC(F)F
CCOc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)OC(F)F(Br)
InChI=1SC23H27F2N2O3c12291913918(101419)272164351526(21)1623(2728)1771120(12817)3022(24)25h7142228H261516H21H3q+1
MFCD01037965
ZINC000013774855
ZINC000013774857

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Available files

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