Vitas-M small molecule compound
N'-[(E)-(4-fluorophenyl)methylidene]-2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL172693
SMILES C=CCn1c(SCC(=O)N/N=C/c2ccc(cc2)F)nnc1CNc1ccc(cc1)I
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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 C21H20FIN6OS MW 550.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FIN6OS/c1-2-11-29-19(13-24-18-9-7-17(23)8-10-18)26-28-21(29)31-14-20(30)27-25-12-15-3-5-16(22)6-4-15/h2-10,12,24H,1,11,13-14H2,(H,27,30)/b25-12+InChIKey
KTVCSSLDOFDMLY-BRJLIKDPSA-NSynonyms
514218-78-12((4ALLYL5((4IODOANILINO)METHYL)4H124TRIAZOL3YL)SULFANYL)N(4FLUOROBENZYLIDENE)ACETOHYDRAZIDE
514218781
C=CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)F)CNC3=CC=C(C=C3)I
C=CCn1c(SCC(=O)NN=Cc2ccc(cc2)F)nnc1CNc1ccc(cc1)I
InChI=1SC21H20FIN6OSc12112919(1324189717(23)81018)262821(29)311420(30)272512153516(22)6415h2101224H1111314H2(H2730)b2512+
MFCD02053818
N((E)(4fluorophenyl)methylidene)2((5(((4iodophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(4FLUOROPHENYL)METHYLIDENEAMINO)2((5((4IODOANILINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000008397787
ZINC103250916
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