Vitas-M small molecule compound

4-{[(2Z,5Z)-5-(4-bromobenzylidene)-4-hydroxy-1,3-thiazol-2(5H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK846926
SMILES Brc1ccc(cc1)/C=C/1\S/C(=N\c2c(C)n(n(c2=O)c2ccccc2)C)/N=C1O

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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 C21H17BrN4O2S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2S/c1-13-18(20(28)26(25(13)2)16-6-4-3-5-7-16)23-21-24-19(27)17(29-21)12-14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,24,27)/b17-12-
InChIKey
PLXXXILDRZWHQL-ATVHPVEESA-N
Synonyms
461709-03-5
461709035
Brc1ccc(cc1)C=C1SC(=Nc2c(C)n(n(c2=O)c2ccccc2)C)N=C1O
MFCD04078889

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Available files

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