Vitas-M small molecule compound
5,5-dimethyl-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione
Catalog ID
STK820884
SMILES O=C1CC(C)(C)CC(=O)C1=Cc1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1
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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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-24(2)13-21(28)20(22(29)14-24)12-17-15-26(18-8-4-3-5-9-18)25-23(17)16-7-6-10-19(11-16)27(30)31/h3-12,15H,13-14H2,1-2H3InChIKey
OQJJABSEDRQWBM-UHFFFAOYSA-NSynonyms
55dimethyl2((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)cyclohexane13dione
55DIMETHYL2((3(3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)CYCLOHEXANE13DIONE
55DIMETHYL2((3(3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)CYCLOHEXANE13DIONE
CC1(CC(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4)C(=O)C1)C
InChI=1SC24H21N3O4c124(2)1321(28)20(22(29)1424)12171526(188435918)2523(17)16761019(1116)27(30)31h31215H1314H212H3
MFCD01959398
O=C1CC(C)(C)CC(=O)C1=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1
ZINC000001168226
ZINC01168226
ZINC1168226
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