Vitas-M small molecule compound

3-(4-chlorophenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium

Catalog ID
STL322606
SMILES CC1CCC(C(C1)OC(=O)C[n+]1cc(n2c1CCC2)c1ccc(cc1)Cl)C(C)C

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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 C24H32ClN2O2 MW 415.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32ClN2O2/c1-16(2)20-11-6-17(3)13-22(20)29-24(28)15-26-14-21(27-12-4-5-23(26)27)18-7-9-19(25)10-8-18/h7-10,14,16-17,20,22H,4-6,11-13,15H2,1-3H3/q+1
InChIKey
KMYSTACCJFWPNY-UHFFFAOYSA-N
Synonyms

(5METHYL2PROPAN2YLCYCLOHEXYL)2(3(4CHLOROPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ACETATE
3(4CHLOROPHENYL)1(2((5METHYL2(1METHYLETHYL)CYCLOHEXYL)OXY)2OXOETHYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM
3(4chlorophenyl)1(2((5methyl2(propan2yl)cyclohexyl)oxy)2oxoethyl)67dihydro5Hpyrrolo(12a)imidazol1ium
5METHYL2(METHYLETHYL)CYCLOHEXYL2(3(4CHLOROPHENYL)PYRROLIDINO(12A)IMIDAZOLYL)ACETATE
CC1CCC(C(C1)OC(=O)C(n+)1cc(n2c1CCC2)c1ccc(cc1)Cl)C(C)C
CC1CCC(C(C1)OC(=O)C(N+)2=C3CCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C
InChI=1SC24H32ClN2O2c116(2)2011617(3)1322(20)2924(28)15261421(27124523(26)27)187919(25)10818h7101416172022H46111315H213H3q+1
MFCD01536599
ZINC000001949648
ZINC000013635108

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Available files

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