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7-acetyl-3-(4-nitrophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazol-4-ium

Catalog ID
STL264396
SMILES CC(=O)N1CC[n+]2c1scc2c1ccc(cc1)[N+](=O)[O-]

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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 C13H12N3O3S MW 290.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N3O3S/c1-9(17)14-6-7-15-12(8-20-13(14)15)10-2-4-11(5-3-10)16(18)19/h2-5,8H,6-7H2,1H3/q+1
InChIKey
ICMZPORYJMYECY-UHFFFAOYSA-N
Synonyms

1(3(4NITROPHENYL)56DIHYDROIMIDAZO(21B)(13)THIAZOL7IUM7YL)ETHANONE
1(3(4NITROPHENYL)56DIHYDROIMIDAZO(21B)(13)THIAZOL7IUM7YL)ETHANONEBROMIDE
1(3(4NITROPHENYL)56DIHYDROIMIDAZO(21B)THIAZOL7IUM7YL)ETHANONEBROMIDE
7ACETYL3(4NITROPHENYL)2IMIDAZOLINO(23B)13THIAZOLE
7acetyl3(4nitrophenyl)67dihydro5Himidazo(21b)(13)thiazol4ium
7acetyl3(4nitrophenyl)67dihydro5Himidazo(21b)thiazol4iumbromide
7ACETYL3(4NITROPHENYL)67DIHYDRO5HIMIDAZO(21B)THIAZOL4YLIUM
CC(=O)(N+)1=C2N(CC1)C(=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
CC(=O)N1CC(n+)2c1scc2c1ccc(cc1)(N+)(=O)(O)
CC(=O)N1CC(n+)2c1scc2c1ccc(cc1)(N+)(=O)(O)(Br)
InChI=1SC13H12N3O3Sc19(17)14671512(82013(14)15)102411(5310)16(18)19h258H67H21H3q+1
ZINC000015952669
ZINC15952669

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Available files

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

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