Vitas-M small molecule compound
2-(2,4-dichlorophenoxy)-1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}propan-1-one
Catalog ID
STK737181
SMILES Clc1ccc(c(c1)Cl)OC(C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[N+](=O)[O-])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 C24H25Cl2N5O4 MW 518.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25Cl2N5O4/c1-15-12-16(2)30(27-15)22-14-19(5-6-21(22)31(33)34)28-8-10-29(11-9-28)24(32)17(3)35-23-7-4-18(25)13-20(23)26/h4-7,12-14,17H,8-11H2,1-3H3InChIKey
HXIKZIHAWLCHBM-UHFFFAOYSA-NSynonyms
2(24dichlorophenoxy)1(4(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)piperazin1yl)propan1one
2(24DICHLOROPHENOXY)1(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)PROPAN1ONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C(C)OC4=C(C=C(C=C4)Cl)Cl)(N+)(=O)(O))C
Clc1ccc(c(c1)Cl)OC(C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O))C
InChI=1SC24H25Cl2N5O4c1151216(2)30(2715)221419(5621(22)31(33)34)2881029(11928)24(32)17(3)35237418(25)1320(23)26h47121417H811H213H3
MFCD05860260
ZINC000012446065
ZINC000012446067
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