Vitas-M small molecule compound
(4E)-4-[2-(3-acetylphenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK042555
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2cccc(c2)C(=O)C)/C1=O)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 C27H21N5O3S MW 495.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O3S/c1-17(33)20-9-6-10-21(15-20)29-30-25-24(19-7-4-3-5-8-19)31-32(26(25)34)27-28-23(16-36-27)18-11-13-22(35-2)14-12-18/h3-16,29H,1-2H3/b30-25+InChIKey
DASRYUBWMWJVPX-QCWLDUFUSA-NSynonyms
(4E)4((3ACETYLPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5PHENYLPYRAZOL3ONE
(4E)4(2(3ACETYLPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
1ACETYL3(((1(4(4METHOXYPHENYL)(13THIAZOL2YL))5OXO3PHENYL(12DIAZOLIN4YLIDENE))AZAMETHYL)AMINO)BENZENE
CC(=O)C1=CC(=CC=C1)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)OC)C5=CC=CC=C5
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2cccc(c2)C(=O)C)C1=O)c1ccccc1
InChI=1SC27H21N5O3Sc117(33)20961021(1520)29302524(197435819)3132(26(25)34)272823(163627)18111322(352)141218h31629H12H3b3025+
MFCD01078350
STK042555
ZINC000009425579
ZINC101429643
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.