Vitas-M small molecule compound
(4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(2-methyl-6-nitrophenyl)hydrazinylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK079008
SMILES O=C1/C(=N\Nc2c(C)cccc2[N+](=O)[O-])/C(=NN1c1scc(n1)C(C)(C)C)c1ccccc1
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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 C23H22N6O3S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O3S/c1-14-9-8-12-16(29(31)32)18(14)25-26-20-19(15-10-6-5-7-11-15)27-28(21(20)30)22-24-17(13-33-22)23(2,3)4/h5-13,25H,1-4H3/b26-20-InChIKey
VBQNZURSGCZOEJ-QOMWVZHYSA-NSynonyms
(4Z)2(4TERTBUTYL13THIAZOL2YL)4((2METHYL6NITROPHENYL)HYDRAZINYLIDENE)5PHENYLPYRAZOL3ONE
(4Z)2(4TERTBUTYL13THIAZOL2YL)4(2(2METHYL6NITROPHENYL)HYDRAZINYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
1(4TERTBUTYL13THIAZOL2YL)3PHENYL1HPYRAZOLE45DIONE4((2NITRO6METHYLPHENYL)HYDRAZONE)
CC1=C(C(=CC=C1)(N+)(=O)(O))NN=C2C(=NN(C2=O)C3=NC(=CS3)C(C)(C)C)C4=CC=CC=C4
InChI=1SC23H22N6O3Sc114981216(29(31)32)18(14)25262019(15106571115)2728(21(20)30)222417(133322)23(23)4h51325H14H3b2620
MFCD02026113
O=C1C(=NNc2c(C)cccc2(N+)(=O)(O))C(=NN1c1scc(n1)C(C)(C)C)c1ccccc1
STK079008
ZINC000012462926
ZINC100108487
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