Vitas-M small molecule compound
2-hydroxy-2-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL327367
SMILES [O-][N+](=O)c1cccc(c1)C1(O)CN2C(=[N+]1c1cccc(c1)C(F)(F)F)CCCCC2
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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 C21H21F3N3O3 MW 420.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N3O3/c22-21(23,24)16-7-5-8-17(13-16)26-19-10-2-1-3-11-25(19)14-20(26,28)15-6-4-9-18(12-15)27(29)30/h4-9,12-13,28H,1-3,10-11,14H2/q+1InChIKey
OVUQDHPTLJNZCD-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cccc(c1)C1(O)CN2C(=(N+)1c1cccc(c1)C(F)(F)F)CCCCC2
2(3nitrophenyl)1(3(trifluoromethyl)phenyl)356789hexahydroimidazo(12a)azepin4ium2ol
2hydroxy2(3nitrophenyl)1(3(trifluoromethyl)phenyl)256789hexahydro3Himidazo(12a)azepin1ium
C1CCC2=(N+)(CC1)CC(N2C3=CC=CC(=C3)C(F)(F)F)(C4=CC(=CC=C4)(N+)(=O)(O))O
InChI=1SC21H21F3N3O3c2221(2324)1675817(1316)2619102131125(19)1420(2628)1564918(1215)27(29)30h49121328H13101114H2q+1
MFCD01944444
ZINC000013765703
ZINC000017161801
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