Vitas-M small molecule compound

4-{(E)-[(4-iodo-3-methylphenyl)imino]methyl}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK205006
SMILES CC1=NN(C(=O)C1/C=N/c1ccc(c(c1)C)I)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 C18H16IN3O MW 417.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16IN3O/c1-12-10-14(8-9-17(12)19)20-11-16-13(2)21-22(18(16)23)15-6-4-3-5-7-15/h3-11,16H,1-2H3/b20-11+
InChIKey
AYBDFTZKCJQOPF-RGVLZGJSSA-N
Synonyms

4((E)((4iodo3methylphenyl)imino)methyl)5methyl2phenyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1C=Nc1ccc(c(c1)C)I)c1ccccc1
MFCD02310491
ZINC000009971497
ZINC000100149982

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Available files

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