Vitas-M small molecule compound

1-(2-amino-2-oxoethyl)-3-(4-fluorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium

Catalog ID
STL042955
SMILES NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)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 C14H15FN3O MW 260.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14FN3O/c15-11-5-3-10(4-6-11)12-8-17(9-13(16)19)14-2-1-7-18(12)14/h3-6,8H,1-2,7,9H2,(H-,16,19)/p+1
InChIKey
NNIVQJNBNHLFCM-UHFFFAOYSA-O
Synonyms

1(2amino2oxoethyl)3(4fluorophenyl)1567tetrahydropyrrolo(12a)imidazol4ium
2(3(4FLUOROPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ACETAMIDE
C1CC2=(N+)(C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)N
InChI=1SC14H14FN3Oc15115310(4611)12817(913(16)19)1421718(12)14h368H1279H2(H1619)p+1
NC(=O)Cn1cc((n+)2c1CCC2)c1ccc(cc1)F
ZINC000017252754
ZINC17252754

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.