Vitas-M small molecule compound
2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-tert-butylphenyl)methylidene]acetohydrazide
Catalog ID
STK108927
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Br)c1ccccc1)N/N=C/c1ccc(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 C27H26BrN5OS MW 548.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN5OS/c1-27(2,3)21-11-9-19(10-12-21)17-29-30-24(34)18-35-26-32-31-25(20-7-5-4-6-8-20)33(26)23-15-13-22(28)14-16-23/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+InChIKey
CMBDLEPYZFITQL-STBIYBPSSA-NSynonyms
497083-50-8(E)2((4(4bromophenyl)5phenyl4H124triazol3yl)thio)N(4(tertbutyl)benzylidene)acetohydrazide
2((4(4BROMOPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4BROMOPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4TERTBUTYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
497083508
CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI=1SC27H26BrN5OSc127(23)2111919(101221)17293024(34)183526323125(207546820)33(26)23151322(28)141623h417H18H213H3(H3034)b2917+
MFCD03218164
N((1E)2(4(TERTBUTYL)PHENYL)1AZAVINYL)2(4(4BROMOPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)Br)c1ccccc1)NN=Cc1ccc(cc1)C(C)(C)C
ZINC000001770718
ZINC101512838
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.