Vitas-M small molecule compound

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

Catalog ID
STL327372
SMILES FC(Oc1ccc(cc1)C1(O)CN2C(=[N+]1c1ccccc1)CCCCC2)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 C21H23F2N2O2 MW 373.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2N2O2/c22-20(23)27-18-12-10-16(11-13-18)21(26)15-24-14-6-2-5-9-19(24)25(21)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20,26H,2,5-6,9,14-15H2/q+1
InChIKey
YFVAFEYZJQWCGY-UHFFFAOYSA-N
Synonyms

2(4(difluoromethoxy)phenyl)1phenyl356789hexahydroimidazo(12a)azepin4ium2ol
2(4(difluoromethoxy)phenyl)2hydroxy1phenyl256789hexahydro3Himidazo(12a)azepin1ium
C1CCC2=(N+)(CC1)CC(N2C3=CC=CC=C3)(C4=CC=C(C=C4)OC(F)F)O
FC(Oc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccccc1)CCCCC2)F
InChI=1SC21H23F2N2O2c2220(23)2718121016(111318)21(26)152414625919(24)25(21)177314817h1347810132026H25691415H2q+1
MFCD01037958
ZINC000013765750
ZINC000013765753

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Available files

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