Vitas-M small molecule compound

1,4-bis(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-1,4-diazoniabicyclo[2.2.2]octane

Catalog ID
STL059271
SMILES O=C(C[N+]12CC[N+](CC1)(CC2)CC(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(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 C24H26F6N4O2 MW 516.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24F6N4O2/c25-23(26,27)17-3-1-5-19(13-17)31-21(35)15-33-7-10-34(11-8-33,12-9-33)16-22(36)32-20-6-2-4-18(14-20)24(28,29)30/h1-6,13-14H,7-12,15-16H2/p+2
InChIKey
FQHVFBZZPAHKPQ-UHFFFAOYSA-P
Synonyms

14bis(2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)14diazabicyclo(222)octane14diiumchloride
14bis(2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)14diazoniabicyclo(222)octane
2(4(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)14DIAZONIABICYCLO(222)OCTAN1YL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
C1C(N+)2(CC(N+)1(CC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F)CC(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC24H24F6N4O2c2523(2627)1731519(1317)3121(35)153371034(1183312933)1622(36)322062418(1420)24(2829)30h161314H7121516H2p+2
O=C(C(N+)12CC(N+)(CC1)(CC2)CC(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F
O=C(C(N+)12CC(N+)(CC1)(CC2)CC(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F(Cl)(Cl)
ZINC000001825437
ZINC01825437
ZINC1825437

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Available files

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