Vitas-M small molecule compound

N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STK110812
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(s2)Br)nnc1c1ccc(cc1)C(C)(C)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 C26H26BrN5O2S2 MW 584.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN5O2S2/c1-26(2,3)18-7-5-17(6-8-18)24-30-31-25(32(24)19-9-11-20(34-4)12-10-19)35-16-23(33)29-28-15-21-13-14-22(27)36-21/h5-15H,16H2,1-4H3,(H,29,33)/b28-15+
InChIKey
BMWSJFJRYHABMB-RWPZCVJISA-N
Synonyms

(E)N((5bromothiophen2yl)methylene)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetohydrazide
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC=C(S4)Br
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(s2)Br)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC26H26BrN5O2S2c126(23)187517(6818)24303125(32(24)1991120(344)121019)351623(33)29281521131422(27)3621h515H16H214H3(H2933)b2815+
MFCD03220000
N((1E)2(5BROMO(2THIENYL))1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(5BROMOTHIOPHEN2YL)METHYLIDENE)2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((E)(5BROMOTHIOPHEN2YL)METHYLIDENEAMINO)2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000100852132
ZINC101515109

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Available files

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