Vitas-M small molecule compound

N'-[(E)-(4,6-dioxo-1-phenyl-2-thioxohexahydropyrimidin-5-yl)methylidene]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide

Catalog ID
STK378411
SMILES O=C(c1ccc(cc1)Nc1scc(n1)c1ccccc1)N/N=C/C1C(=O)NC(=S)N(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 C27H20N6O3S2 MW 540.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N6O3S2/c34-23(32-28-15-21-24(35)31-27(37)33(25(21)36)20-9-5-2-6-10-20)18-11-13-19(14-12-18)29-26-30-22(16-38-26)17-7-3-1-4-8-17/h1-16,21H,(H,29,30)(H,32,34)(H,31,35,37)/b28-15+
InChIKey
WAFUUOYGJCRHLL-RWPZCVJISA-N
Synonyms

C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)NN=CC4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5
InChI=1SC27H20N6O3S2c3423(3228152124(35)3127(37)33(25(21)36)2095261020)18111319(141218)29263022(163826)177314817h11621H(H2930)(H3234)(H313537)b2815+
MFCD01874570
N((1E)2(46DIOXO1PHENYL2THIOXO(135TRIHYDROPYRIMIDIN5YL))1AZAVINYL)(4((4PHENYL(13THIAZOL2YL))AMINO)PHENYL)CARBOXAMIDE
N((E)(46dioxo1phenyl2sulfanylidene13diazinan5yl)methylideneamino)4((4phenyl13thiazol2yl)amino)benzamide
N((E)(46dioxo1phenyl2thioxohexahydropyrimidin5yl)methylidene)4((4phenyl13thiazol2yl)amino)benzohydrazide
O=C(c1ccc(cc1)Nc1scc(n1)c1ccccc1)NN=CC1C(=O)NC(=S)N(C1=O)c1ccccc1
ZINC000004062747
ZINC000004062756

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.