Vitas-M small molecule compound

4-{(2Z)-2-[3-(4-nitrophenyl)-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzenesulfonic acid

Catalog ID
STK050892
SMILES O=C1N(N=C(/C/1=N/Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)[N+](=O)[O-])c1scc(n1)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 C24H16N6O6S2 MW 548.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N6O6S2/c31-23-22(27-26-17-8-12-19(13-9-17)38(34,35)36)21(16-6-10-18(11-7-16)30(32)33)28-29(23)24-25-20(14-37-24)15-4-2-1-3-5-15/h1-14,26H,(H,34,35,36)/b27-22-
InChIKey
QELLTOOAKOSLTK-QYQHSDTDSA-N
Synonyms

4((2Z)2(3(4NITROPHENYL)5OXO1(4PHENYL13THIAZOL2YL)15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZENESULFONICACID
4((2Z)2(3(4NITROPHENYL)5OXO1(4PHENYL13THIAZOL2YL)PYRAZOL4YLIDENE)HYDRAZINYL)BENZENESULFONICACID
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC=C(C=C4)S(=O)(=O)O)C(=N3)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC24H16N6O6S2c312322(27261781219(13917)38(3435)36)21(1661018(11716)30(32)33)2829(23)242520(143724)154213515h11426H(H343536)b2722
MFCD01418503
O=C1N(N=C(C1=NNc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)(N+)(=O)(O))c1scc(n1)c1ccccc1
STK050892
ZINC000100005816
ZINC101442533

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Available files

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