Vitas-M small molecule compound

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-bromo-4-methoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK093359
SMILES COc1ccc(cc1Br)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(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 C26H24BrN5O2S MW 550.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN5O2S/c1-17-4-9-20(10-5-17)25-30-31-26(32(25)21-11-6-18(2)7-12-21)35-16-24(33)29-28-15-19-8-13-23(34-3)22(27)14-19/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey
UKSLBPSRNPSWLM-RWPZCVJISA-N
Synonyms
498544-48-2
(E)N(3bromo4methoxybenzylidene)2((45diptolyl4H124triazol3yl)thio)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(3BROMO4METHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(3BROMO4METHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
498544482
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC(=C(C=C4)OC)Br
COc1ccc(cc1Br)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C
InChI=1SC26H24BrN5O2Sc1174920(10517)25303126(32(25)2111618(2)71221)351624(33)2928151981323(343)22(27)1419h415H16H213H3(H2933)b2815+
MFCD03091542
N((1E)2(3BROMO4METHOXYPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK093359
ZINC000002351767
ZINC101495621

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Available files

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