Vitas-M small molecule compound
(4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-4-(2-phenylhydrazinylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK079977
SMILES O=C1N(N=C(/C/1=N/Nc1ccccc1)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 C22H20N6O3S MW 448.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O3S/c1-22(2,3)17-13-32-21(23-17)27-20(29)19(25-24-15-7-5-4-6-8-15)18(26-27)14-9-11-16(12-10-14)28(30)31/h4-13,24H,1-3H3/b25-19-InChIKey
AZLVXEGOHGIYKZ-PLRJNAJWSA-NSynonyms
(4Z)2(4TERTBUTYL13THIAZOL2YL)5(4NITROPHENYL)4(2PHENYLHYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(4TERTBUTYL13THIAZOL2YL)5(4NITROPHENYL)4(PHENYLHYDRAZINYLIDENE)PYRAZOL3ONE
1(4TERTBUTYL13THIAZOL2YL)3(4NITROPHENYL)1HPYRAZOLE45DIONE4(PHENYLHYDRAZONE)
CC(C)(C)C1=CSC(=N1)N2C(=O)C(=NNC3=CC=CC=C3)C(=N2)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H20N6O3Sc122(23)17133221(2317)2720(29)19(2524157546815)18(2627)1491116(121014)28(30)31h41324H13H3b2519
MFCD02026063
O=C1N(N=C(C1=NNc1ccccc1)c1ccc(cc1)(N+)(=O)(O))c1scc(n1)C(C)(C)C
STK079977
ZINC000012401152
ZINC100074957
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