Vitas-M small molecule compound
3-nitro-N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}benzamide
Catalog ID
STK809309
SMILES O=C(c1cccc(c1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)Nc1c(C)n(n(c1=O)c1ccccc1)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 C20H18Cl3N5O4 MW 498.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl3N5O4/c1-12-16(18(30)27(26(12)2)14-8-4-3-5-9-14)24-19(20(21,22)23)25-17(29)13-7-6-10-15(11-13)28(31)32/h3-11,19,24H,1-2H3,(H,25,29)InChIKey
NBBJIPDAOKGSNA-UHFFFAOYSA-NSynonyms
3nitroN(222trichloro1((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)ethyl)benzamide
3NITRON(222TRICHLORO1((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)ETHYL)BENZAMIDE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H18Cl3N5O4c11216(18(30)27(26(12)2)148435914)2419(20(2122)23)2517(29)13761015(1113)28(31)32h3111924H12H3(H2529)
MFCD00667512
O=C(c1cccc(c1)(N+)(=O)(O))NC(C(Cl)(Cl)Cl)Nc1c(C)n(n(c1=O)c1ccccc1)C
ZINC000001450870
ZINC000001450871
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