Vitas-M small molecule compound

2-[(2E)-2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]benzoic acid

Catalog ID
STK059940
SMILES Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccccc2C(=O)O)/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 C21H17N5O3S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3S/c1-12-7-9-14(10-8-12)17-11-30-21(22-17)26-19(27)18(13(2)25-26)24-23-16-6-4-3-5-15(16)20(28)29/h3-11,23H,1-2H3,(H,28,29)/b24-18+
InChIKey
QRKHXSZEZKGJDS-HKOYGPOVSA-N
Synonyms
314290-19-2
2((2E)2(3METHYL1(4(4METHYLPHENYL)13THIAZOL2YL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
2((2E)2(3methyl1(4(4methylphenyl)13thiazol2yl)5oxopyrazol4ylidene)hydrazinyl)benzoicacid
314290192
CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC=CC=C4C(=O)O)C(=N3)C
Cc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccccc2C(=O)O)C1=O)C
InChI=1SC21H17N5O3Sc1127914(10812)17113021(2217)2619(27)18(13(2)2526)242316643515(16)20(28)29h31123H12H3(H2829)b2418+
MFCD01246569
STK059940
ZINC000012275635
ZINC1506046

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Available files

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