Vitas-M small molecule compound
N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL052507
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nnc1c1ccc(cc1)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 C25H21BrFN5O2S MW 554.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrFN5O2S/c1-16-3-5-17(6-4-16)24-30-31-25(32(24)20-8-10-21(34-2)11-9-20)35-15-23(33)29-28-14-18-13-19(26)7-12-22(18)27/h3-14H,15H2,1-2H3,(H,29,33)/b28-14+InChIKey
RQOKWRRUJSMENH-CCVNUDIWSA-NSynonyms
(E)N(5bromo2fluorobenzylidene)2((4(4methoxyphenyl)5(ptolyl)4H124triazol3yl)thio)acetohydrazide
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=C(C=CC(=C4)Br)F
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2cc(Br)ccc2F)nnc1c1ccc(cc1)C
InChI=1SC25H21BrFN5O2Sc1163517(6416)24303125(32(24)2081021(342)11920)351523(33)292814181319(26)71222(18)27h314H15H212H3(H2933)b2814+
MFCD03677500
N((E)(5bromo2fluorophenyl)methylidene)2((4(4methoxyphenyl)5(4methylphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(5BROMO2FLUOROPHENYL)METHYLIDENEAMINO)2((4(4METHOXYPHENYL)5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001813237
ZINC103121590
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