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(4E)-2-(4-iodophenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL295623
SMILES Ic1ccc(cc1)N1N=C(/C(=C\N[C@]23CN4CN(C3)CN(C2)C4)/C1=O)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 C18H21IN6O MW 464.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21IN6O/c1-13-16(17(26)25(21-13)15-4-2-14(19)3-5-15)6-20-18-7-22-10-23(8-18)12-24(9-18)11-22/h2-6,20H,7-12H2,1H3/b16-6+
InChIKey
ZOSXJRRWDIJWSM-OMCISZLKSA-N
Synonyms
(4E)2(4iodophenyl)5methyl4((135triazatricyclo(3311~37~)dec7ylamino)methylidene)24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CNC23CN4CN(C2)CN(C3)C4)C5=CC=C(C=C5)I
Ic1ccc(cc1)N1N=C(C(=CN(C@)23CN4CN(C3)CN(C2)C4)C1=O)C
Registry IDs
ZINC000101112527
ZINC101112527

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Available files

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