Vitas-M small molecule compound

(4Z)-2-(3-chlorophenyl)-4-{[(2,6-dimethylphenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK752055
SMILES Clc1cccc(c1)N1N=C(/C(=C/Nc2c(C)cccc2C)/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 C19H18ClN3O MW 339.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O/c1-12-6-4-7-13(2)18(12)21-11-17-14(3)22-23(19(17)24)16-9-5-8-15(20)10-16/h4-11,21H,1-3H3/b17-11-
InChIKey
VRIBZQVGYHUJEB-BOPFTXTBSA-N
Synonyms

(4Z)2(3chlorophenyl)4(((26dimethylphenyl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4Z)2(3CHLOROPHENYL)4((26DIMETHYLANILINO)METHYLIDENE)5METHYLPYRAZOL3ONE
CC1=C(C(=CC=C1)C)NC=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C
Clc1cccc(c1)N1N=C(C(=CNc2c(C)cccc2C)C1=O)C
InChI=1SC19H18ClN3Oc11264713(2)18(12)21111714(3)2223(19(17)24)1695815(20)1016h41121H13H3b1711
MFCD00819158
ZINC000004359681
ZINC04359681
ZINC4359681

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Available files

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