Vitas-M small molecule compound

(4E)-5-hydroxy-4-(3-iodobenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL412327
SMILES Ic1cccc(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)O

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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 C16H11IN2O2 MW 390.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11IN2O2/c17-12-6-4-5-11(9-12)10-14-15(20)18-19(16(14)21)13-7-2-1-3-8-13/h1-10H,(H,18,20)/b14-10+
InChIKey
JAGUDTQMBCOXJX-GXDHUFHOSA-N
Synonyms

(4E)4((3IODOPHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)5hydroxy4(3iodobenzylidene)2phenyl24dihydro3Hpyrazol3one
3HYDROXY4((3IODOPHENYL)METHYLENE)1PHENYL12DIAZOLIN5ONE
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)I)C(=O)N2
Ic1cccc(c1)C=C1C(=NN(C1=O)c1ccccc1)O
InChI=1SC16H11IN2O2c171264511(912)101415(20)1819(16(14)21)137213813h110H(H1820)b1410+
MFCD04086011
ZINC000006927525
ZINC06927525
ZINC6927525

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Available files

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