Vitas-M small molecule compound
{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(2-iodophenyl)methanone
Catalog ID
STK074139
SMILES Cc1nn(c(c1)C)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccccc1I
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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 C22H22IN5O3 MW 531.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22IN5O3/c1-15-13-16(2)27(24-15)21-14-17(7-8-20(21)28(30)31)25-9-11-26(12-10-25)22(29)18-5-3-4-6-19(18)23/h3-8,13-14H,9-12H2,1-2H3InChIKey
AYSLOJHTUYITPR-UHFFFAOYSA-NSynonyms
(4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(2IODOPHENYL)METHANONE
(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(2IODOPHENYL)METHANONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4I)(N+)(=O)(O))C
Cc1nn(c(c1)C)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1I
InChI=1SC22H22IN5O3c1151316(2)27(2415)211417(7820(21)28(30)31)2591126(121025)22(29)18534619(18)23h381314H912H212H3
MFCD03227226
STK074139
ZINC000100136219
ZINC100136219
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