Vitas-M small molecule compound
2-[(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
STK067598
SMILES COc1ccc(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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-12-18(24-23-16-6-4-3-5-15(16)20(28)29)19(27)26(25-12)21-22-17(11-31-21)13-7-9-14(30-2)10-8-13/h3-11,23H,1-2H3,(H,28,29)/b24-18-InChIKey
BQBBWPRZPCSJTJ-MOHJPFBDSA-NSynonyms
314290-54-52((2Z)2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
2((2Z)2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3METHYL5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
314290545
CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccccc2C(=O)O)C1=O)C
InChI=1SC21H17N5O4Sc11218(242316643515(16)20(28)29)19(27)26(2512)212217(113121)137914(302)10813h31123H12H3(H2829)b2418
MFCD02025921
STK067598
ZINC000100005433
ZINC100507585
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