Vitas-M small molecule compound
3-[(2E)-2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]benzonitrile
Catalog ID
STK050407
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2cccc(c2)C#N)/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 C21H16N6O2S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O2S/c1-13-19(25-24-16-5-3-4-14(10-16)11-22)20(28)27(26-13)21-23-18(12-30-21)15-6-8-17(29-2)9-7-15/h3-10,12,24H,1-2H3/b25-19+InChIKey
GDBHRMFFXGJKAG-NCELDCMTSA-NSynonyms
3((2E)2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZONITRILE
3((2E)2(1(4(4methoxyphenyl)13thiazol2yl)3methyl5oxopyrazol4ylidene)hydrazinyl)benzonitrile
3(2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINO)BENZONITRILE
CC1=NN(C(=O)C1=NNC2=CC=CC(=C2)C#N)C3=NC(=CS3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2cccc(c2)C#N)C1=O)C
InChI=1SC21H16N6O2Sc11319(25241653414(1016)1122)20(28)27(2613)212318(123021)156817(292)9715h3101224H12H3b2519+
MFCD02026054
STK050407
ZINC000100006052
ZINC12412939
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