Vitas-M small molecule compound

2-[(4-chlorobenzyl)sulfanyl]-N'-{(E)-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}acetohydrazide

Catalog ID
STK465465
SMILES COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)F)/C=N/NC(=O)CSCc1ccc(cc1)Cl

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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 C26H23ClF2N4O2S2 MW 561.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClF2N4O2S2/c1-16-9-22(25(28)29)32-26(21(16)11-30)37-14-19-10-18(5-8-23(19)35-2)12-31-33-24(34)15-36-13-17-3-6-20(27)7-4-17/h3-10,12,25H,13-15H2,1-2H3,(H,33,34)/b31-12+
InChIKey
KNEARIQPSDOXME-KLPHOBTLSA-N
Synonyms

2((4chlorobenzyl)sulfanyl)N((E)(3(((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)acetohydrazide
2((4chlorophenyl)methylsulfanyl)N((E)(3((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanylmethyl)4methoxyphenyl)methylideneamino)acetamide
CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C=NNC(=O)CSCC3=CC=C(C=C3)Cl)OC)C(F)F
COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)F)C=NNC(=O)CSCc1ccc(cc1)Cl
InChI=1SC26H23ClF2N4O2S2c116922(25(28)29)3226(21(16)1130)3714191018(5823(19)352)12313324(34)153613173620(27)7417h3101225H1315H212H3(H3334)b3112+
MFCD06758309
N((1E)2(3((6(DIFLUOROMETHYL)3CYANO4METHYL(2PYRIDYLTHIO))METHYL)4METHOXYPHENYL)1AZAVINYL)2((4CHLOROPHENYL)METHYLTHIO)ACETAMIDE
ZINC000097965679
ZINC102326725

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Available files

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