Vitas-M small molecule compound

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

Catalog ID
STK048824
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C/c1cccc(c1)Br

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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 C25H22BrN5OS MW 520.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5OS/c1-17-6-10-20(11-7-17)24-29-30-25(31(24)22-12-8-18(2)9-13-22)33-16-23(32)28-27-15-19-4-3-5-21(26)14-19/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+
InChIKey
XEOCNIMEGDOYIL-JFLMPSFJSA-N
Synonyms
498544-76-6
(E)N(3bromobenzylidene)2((45diptolyl4H124triazol3yl)thio)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(3BROMOPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(3BROMOPHENYL)METHYLIDENE)ACETOHYDRAZIDE
498544766
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC(=CC=C4)Br
InChI=1SC25H22BrN5OSc11761020(11717)24293025(31(24)2212818(2)91322)331623(32)2827151943521(26)1419h315H16H212H3(H2832)b2715+
MFCD03091551
N((1E)2(3BROMOPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=Cc1cccc(c1)Br
STK048824
ZINC000001742897
ZINC33342920

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Available files

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