Vitas-M small molecule compound

N'-[(1E)-3,3-dimethyl-5-oxocyclohexylidene]-3-iodo-4-methoxybenzohydrazide

Catalog ID
STK088772
SMILES COc1ccc(cc1I)C(=O)N/N=C\1/CC(=O)CC(C1)(C)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 C16H19IN2O3 MW 414.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19IN2O3/c1-16(2)8-11(7-12(20)9-16)18-19-15(21)10-4-5-14(22-3)13(17)6-10/h4-6H,7-9H2,1-3H3,(H,19,21)/b18-11-
InChIKey
FMVATUIBHKQRRO-WQRHYEAKSA-N
Synonyms

CC1(CC(=NNC(=O)C2=CC(=C(C=C2)OC)I)CC(=O)C1)C
COc1ccc(cc1I)C(=O)NN=C1CC(=O)CC(C1)(C)C
InChI=1SC16H19IN2O3c116(2)811(712(20)916)181915(21)104514(223)13(17)610h46H79H213H3(H1921)b1811
MFCD02025267
N((1E)33DIMETHYL5OXOCYCLOHEXYLIDENE)3IODO4METHOXYBENZOHYDRAZIDE
N((E)(33DIMETHYL5OXOCYCLOHEXYLIDENE)AMINO)3IODO4METHOXYBENZAMIDE
STK088772
ZINC000100007397
ZINC100225602

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Available files

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