Vitas-M small molecule compound

2-{(E)-2-[acetyl(phenyl)amino]ethenyl}-1,3-diethyl-5-[(trifluoromethyl)sulfonyl]-1H-3,1-benzimidazol-3-ium

Catalog ID
STK383768
SMILES CCn1c2ccc(cc2[n+](c1/C=C/N(c1ccccc1)C(=O)C)CC)S(=O)(=O)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 C22H23F3N3O3S MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F3N3O3S/c1-4-26-19-12-11-18(32(30,31)22(23,24)25)15-20(19)27(5-2)21(26)13-14-28(16(3)29)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3/q+1
InChIKey
PFOVFDATWLJCBO-UHFFFAOYSA-N
Synonyms

2((E)2(acetyl(phenyl)amino)ethenyl)13diethyl5((trifluoromethyl)sulfonyl)1H31benzimidazol3ium
CCN1C2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)(N+)(=C1C=CN(C3=CC=CC=C3)C(=O)C)CC
CCn1c2ccc(cc2(n+)(c1C=CN(c1ccccc1)C(=O)C)CC)S(=O)(=O)C(F)(F)F
InChI=1SC22H23F3N3O3Sc142619121118(32(3031)22(2324)25)1520(19)27(52)21(26)131428(16(3)29)1797681017h615H45H213H3q+1
N((E)2(13DIETHYL5(TRIFLUOROMETHYLSULFONYL)BENZIMIDAZOL1IUM2YL)ETHENYL)NPHENYLACETAMIDE
N(2(13DIETHYL5(TRIFLUOROMETHYLSULFONYL)BENZIMIDAZOL1IUM2YL)ETHENYL)NPHENYLACETAMIDE
ZINC000003186896
ZINC03186896
ZINC3186896

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Available files

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