Vitas-M small molecule compound
(4Z)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-4-[2-(2,4,6-trimethylphenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK012372
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2c(C)cc(cc2C)C)/C1=O)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 C28H24N6O4S MW 540.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N6O4S/c1-16-13-17(2)24(18(3)14-16)30-31-26-25(20-5-9-21(10-6-20)34(36)37)32-33(27(26)35)28-29-23(15-39-28)19-7-11-22(38-4)12-8-19/h5-15,30H,1-4H3/b31-26-InChIKey
BUXHDBBQPMJWSH-ZXPTYKNPSA-NSynonyms
(4Z)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)4((246TRIMETHYLPHENYL)HYDRAZINYLIDENE)PYRAZOL3ONE
(4Z)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)4(2(246TRIMETHYLPHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
CC1=CC(=C(C(=C1)C)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)(N+)(=O)(O))C
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2c(C)cc(cc2C)C)C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H24N6O4Sc1161317(2)24(18(3)1416)30312625(205921(10620)34(36)37)3233(27(26)35)282923(153928)1971122(384)12819h51530H14H3b3126
MFCD01418548
STK012372
ZINC000008396553
ZINC08396553
ZINC100005922
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.