Vitas-M small molecule compound
(4E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(2-nitrophenyl)hydrazinylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK054779
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccccc2[N+](=O)[O-])/C1=O)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 C25H18N6O4S MW 498.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N6O4S/c1-35-18-13-11-16(12-14-18)20-15-36-25(26-20)30-24(32)23(22(29-30)17-7-3-2-4-8-17)28-27-19-9-5-6-10-21(19)31(33)34/h2-15,27H,1H3/b28-23+InChIKey
XIWCRUJWXVVYPM-WEMUOSSPSA-NSynonyms
(4E)2(4(4methoxyphenyl)13thiazol2yl)4((2nitrophenyl)hydrazinylidene)5phenylpyrazol3one
(4E)2(4(4METHOXYPHENYL)13THIAZOL2YL)4(2(2NITROPHENYL)HYDRAZINYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
1(4(4METHOXYPHENYL)13THIAZOL2YL)3PHENYL1HPYRAZOLE45DIONE4((2NITROPHENYL)HYDRAZONE)
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC=CC=C4(N+)(=O)(O))C(=N3)C5=CC=CC=C5
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccccc2(N+)(=O)(O))C1=O)c1ccccc1
InChI=1SC25H18N6O4Sc13518131116(121418)20153625(2620)3024(32)23(22(2930)177324817)2827199561021(19)31(33)34h21527H1H3b2823+
MFCD00981631
STK054779
ZINC000008397668
ZINC101448579
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