Vitas-M small molecule compound

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

Catalog ID
STK093212
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C/c1cc(Br)ccc1F

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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 C25H21BrFN5OS MW 538.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrFN5OS/c1-16-3-7-18(8-4-16)24-30-31-25(32(24)21-10-5-17(2)6-11-21)34-15-23(33)29-28-14-19-13-20(26)9-12-22(19)27/h3-14H,15H2,1-2H3,(H,29,33)/b28-14+
InChIKey
DFCNIMODHMLUAQ-CCVNUDIWSA-N
Synonyms
498544-47-1
(E)N(5bromo2fluorobenzylidene)2((45diptolyl4H124triazol3yl)thio)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(5BROMO2FLUOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(5BROMO2FLUOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=C(C=CC(=C4)Br)F
N((1E)2(5BROMO2FLUOROPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=Cc1cc(Br)ccc1F
Registry IDs
MFCD03091413
ZINC000001824994
ZINC101495442

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Available files

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