Vitas-M small molecule compound

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

Catalog ID
STK073137
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cccc(c2)C(=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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-12-18(24-23-15-5-3-4-14(10-15)20(28)29)19(27)26(25-12)21-22-17(11-31-21)13-6-8-16(30-2)9-7-13/h3-11,23H,1-2H3,(H,28,29)/b24-18-
InChIKey
JVFXCWDKQYFIHF-MOHJPFBDSA-N
Synonyms
1482516-64-2
1482516642
3((2Z)2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
3((2Z)2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3METHYL5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
CC1=NN(C(=O)C1=NNC2=CC=CC(=C2)C(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2cccc(c2)C(=O)O)C1=O)C
InChI=1SC21H17N5O4Sc11218(24231553414(1015)20(28)29)19(27)26(2512)212217(113121)136816(302)9713h31123H12H3(H2829)b2418
MFCD02025934
STK073137
ZINC000012275718
ZINC100507587

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Available files

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