Vitas-M small molecule compound
(4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-4-[2-(3-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK041475
SMILES O=C1N(N=C(/C/1=N/Nc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])c1scc(n1)C(C)(C)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 C22H19N7O5S MW 493.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N7O5S/c1-22(2,3)17-12-35-21(23-17)27-20(30)19(25-24-14-5-4-6-16(11-14)29(33)34)18(26-27)13-7-9-15(10-8-13)28(31)32/h4-12,24H,1-3H3/b25-19-InChIKey
KWDCIXXJTVDGKW-PLRJNAJWSA-NSynonyms
(4Z)2(4TERTBUTYL13THIAZOL2YL)5(4NITROPHENYL)4((3NITROPHENYL)HYDRAZINYLIDENE)PYRAZOL3ONE
(4Z)2(4TERTBUTYL13THIAZOL2YL)5(4NITROPHENYL)4(2(3NITROPHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
CC(C)(C)C1=CSC(=N1)N2C(=O)C(=NNC3=CC(=CC=C3)(N+)(=O)(O))C(=N2)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H19N7O5Sc122(23)17123521(2317)2720(30)19(25241454616(1114)29(33)34)18(2627)137915(10813)28(31)32h41224H13H3b2519
MFCD02026061
O=C1N(N=C(C1=NNc1cccc(c1)(N+)(=O)(O))c1ccc(cc1)(N+)(=O)(O))c1scc(n1)C(C)(C)C
STK041475
ZINC000013942512
ZINC100074944
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