Vitas-M small molecule compound
(4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(4-chlorophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK045385
SMILES Clc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1scc(n1)C(C)(C)C)c1ccc(cc1)[N+](=O)[O-]
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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 C22H19ClN6O3S MW 482.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN6O3S/c1-22(2,3)17-12-33-21(24-17)28-20(30)19(26-25-15-8-6-14(23)7-9-15)18(27-28)13-4-10-16(11-5-13)29(31)32/h4-12,25H,1-3H3/b26-19-InChIKey
NQXFFVFXZWQWBW-XHPQRKPJSA-NSynonyms
(4Z)2(4TERTBUTYL13THIAZOL2YL)4((4CHLOROPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)PYRAZOL3ONE
(4Z)2(4TERTBUTYL13THIAZOL2YL)4(2(4CHLOROPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
1(4TERTBUTYL13THIAZOL2YL)3(4NITROPHENYL)1HPYRAZOLE45DIONE4((4CHLOROPHENYL)HYDRAZONE)
CC(C)(C)C1=CSC(=N1)N2C(=O)C(=NNC3=CC=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)NN=C1C(=NN(C1=O)c1scc(n1)C(C)(C)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H19ClN6O3Sc122(23)17123321(2417)2820(30)19(2625158614(23)7915)18(2728)1341016(11513)29(31)32h41225H13H3b2619
MFCD02026062
STK045385
ZINC000013601519
ZINC100074947
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.