Vitas-M small molecule compound
(4Z)-4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK082741
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(c(c2)Br)C)/C1=O)c1ccc(cc1)[N+](=O)[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 C26H19BrN6O4S MW 591.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN6O4S/c1-15-3-8-18(13-21(15)27)29-30-24-23(17-4-9-19(10-5-17)33(35)36)31-32(25(24)34)26-28-22(14-38-26)16-6-11-20(37-2)12-7-16/h3-14,29H,1-2H3/b30-24-InChIKey
RPMXTRQPFZJBSJ-KRUMMXJUSA-NSynonyms
(4Z)4((3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)PYRAZOL3ONE
(4Z)4(2(3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)(N+)(=O)(O))Br
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccc(c(c2)Br)C)C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H19BrN6O4Sc1153818(1321(15)27)29302423(174919(10517)33(35)36)3132(25(24)34)262822(143826)1661120(372)12716h31429H12H3b3024
MFCD01418584
STK082741
ZINC000100005889
ZINC08397601
ZINC8397601
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.