Vitas-M small molecule compound

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

Catalog ID
STK102749
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Br)c1ccccc1)N/N=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 C24H20BrN5OS MW 506.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN5OS/c1-17-7-9-18(10-8-17)15-26-27-22(31)16-32-24-29-28-23(19-5-3-2-4-6-19)30(24)21-13-11-20(25)12-14-21/h2-15H,16H2,1H3,(H,27,31)/b26-15+
InChIKey
PXISKTSLGUPAMA-CVKSISIWSA-N
Synonyms
488725-91-3
(E)2((4(4bromophenyl)5phenyl4H124triazol3yl)thio)N(4methylbenzylidene)acetohydrazide
2((4(4BROMOPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4METHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4BROMOPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4METHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488725913
CC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI=1SC24H20BrN5OSc1177918(10817)15262722(31)163224292823(195324619)30(24)21131120(25)121421h215H16H21H3(H2731)b2615+
MFCD03218134
N((1E)2(4METHYLPHENYL)1AZAVINYL)2(4(4BROMOPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)Br)c1ccccc1)NN=Cc1ccc(cc1)C
ZINC000001813424
ZINC33344858

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.