Vitas-M small molecule compound
N'-[(E)-{3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl}methylidene]-2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Catalog ID
STK302920
SMILES COc1ccc(cc1COc1ccc(cc1Cl)Cl)/C=N/NC(=O)CSc1nnc(n1CC)CCn1nc(c(c1C)[N+](=O)[O-])C
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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 C28H30Cl2N8O5S MW 661.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30Cl2N8O5S/c1-5-36-25(10-11-37-18(3)27(38(40)41)17(2)35-37)32-34-28(36)44-16-26(39)33-31-14-19-6-8-23(42-4)20(12-19)15-43-24-9-7-21(29)13-22(24)30/h6-9,12-14H,5,10-11,15-16H2,1-4H3,(H,33,39)/b31-14+InChIKey
JDOQCTSZVJSBGA-XAZZYMPDSA-NSynonyms
1005649-13-71005649137
CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)Cl)CCN4C(=C(C(=N4)C)(N+)(=O)(O))C
COc1ccc(cc1COc1ccc(cc1Cl)Cl)C=NNC(=O)CSc1nnc(n1CC)CCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC28H30Cl2N8O5Sc153625(10113718(3)27(38(40)41)17(2)3537)323428(36)441626(39)333114196823(424)20(1219)1543249721(29)1322(24)30h691214H510111516H214H3(H3339)b3114+
MFCD04049043
N((E)(3((24dichlorophenoxy)methyl)4methoxyphenyl)methylidene)2((5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4ethyl4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(3((24dichlorophenoxy)methyl)4methoxyphenyl)methylideneamino)2((5(2(35dimethyl4nitropyrazol1yl)ethyl)4ethyl124triazol3yl)sulfanyl)acetamide
ZINC000150397539
ZINC150638259
Check stock
See real-time availability and sample size for STK302920 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.