Vitas-M small molecule compound
N'-[(1E)-1-(3-bromophenyl)ethylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STK065635
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C(/c1cccc(c1)Br)\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 C28H28BrN5OS MW 562.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrN5OS/c1-19(21-9-8-10-23(29)17-21)30-31-25(35)18-36-27-33-32-26(34(27)24-11-6-5-7-12-24)20-13-15-22(16-14-20)28(2,3)4/h5-17H,18H2,1-4H3,(H,31,35)/b30-19+InChIKey
CIZTYKOCKYGPJE-NDZAJKAJSA-NSynonyms
(E)N(1(3bromophenyl)ethylidene)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)acetohydrazide
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=CC=C4)Br
InChI=1SC28H28BrN5OSc119(21981023(29)1721)303125(35)183627333226(34(27)24116571224)20131522(161420)28(23)4h517H18H214H3(H3135)b3019+
MFCD02641942
N((1E)1(3BROMOPHENYL)ETHYLIDENE)2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((1E)2(3BROMOPHENYL)1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)1(3bromophenyl)ethylideneamino)2((5(4tertbutylphenyl)4phenyl124triazol3yl)sulfanyl)acetamide
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=C(c1cccc(c1)Br)C
STK065635
ZINC000100612905
ZINC101463972
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.