Vitas-M small molecule compound

(4E)-4-{2-[4-chloro-2-(phenylcarbonyl)phenyl]hydrazinylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK068238
SMILES Clc1ccc(c(c1)C(=O)c1ccccc1)N/N=C\1/C(=O)N(N=C1c1ccccc1)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 C28H19ClN4O2 MW 478.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN4O2/c29-21-16-17-24(23(18-21)27(34)20-12-6-2-7-13-20)30-31-26-25(19-10-4-1-5-11-19)32-33(28(26)35)22-14-8-3-9-15-22/h1-18,30H/b31-26+
InChIKey
OFQZDCDAPZJLKP-GKPLWNPISA-N
Synonyms

(4E)4((2BENZOYL4CHLOROPHENYL)HYDRAZINYLIDENE)25DIPHENYLPYRAZOL3ONE
(4E)4(2(4CHLORO2(PHENYLCARBONYL)PHENYL)HYDRAZINYLIDENE)25DIPHENYL24DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CC=C5
Clc1ccc(c(c1)C(=O)c1ccccc1)NN=C1C(=O)N(N=C1c1ccccc1)c1ccccc1
InChI=1SC28H19ClN4O2c2921161724(23(1821)27(34)20126271320)30312625(19104151119)3233(28(26)35)22148391522h11830Hb3126+
MFCD01418762
STK068238
ZINC000100005896
ZINC08398072
ZINC8398072

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Available files

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