Vitas-M small molecule compound

2-({[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK210654
SMILES Clc1ccc(cc1)c1c(NC=C2C(=O)CC(CC2=O)(C)C)[nH]nc1C

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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 C19H20ClN3O2 MW 357.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3O2/c1-11-17(12-4-6-13(20)7-5-12)18(23-22-11)21-10-14-15(24)8-19(2,3)9-16(14)25/h4-7,10H,8-9H2,1-3H3,(H2,21,22,23)
InChIKey
YEDMCQSYEAXODW-UHFFFAOYSA-N
Synonyms

2(((4(4chlorophenyl)3methyl1Hpyrazol5yl)amino)methylene)55dimethylcyclohexane13dione
2(((4(4chlorophenyl)3methyl1Hpyrazol5yl)amino)methylidene)55dimethylcyclohexane13dione
2(((4(4CHLOROPHENYL)3METHYLPYRAZOL5YL)AMINO)METHYLENE)55DIMETHYLCYCLOHEXANE13DIONE
2(((4(4CHLOROPHENYL)5METHYL1HPYRAZOL3YL)AMINO)METHYLENE)55DIMETHYLCYCLOHEXANE13QUINONE
2(((4(4CHLOROPHENYL)5METHYL1HPYRAZOL3YL)AMINO)METHYLIDENE)55DIMETHYLCYCLOHEXANE13DIONE
CC1=C(C(=NN1)NC=C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl
Clc1ccc(cc1)c1c(NC=C2C(=O)CC(CC2=O)(C)C)(nH)nc1C
InChI=1SC19H20ClN3O2c11117(124613(20)7512)18(232211)21101415(24)819(23)916(14)25h4710H89H213H3(H2212223)
MFCD06612579
ZINC000100125647
ZINC100125647

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Available files

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