Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide
Catalog ID
STK060107
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C(/c1ccncc1)\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 C27H28N6OS MW 484.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6OS/c1-19(20-14-16-28-17-15-20)29-30-24(34)18-35-26-32-31-25(33(26)23-8-6-5-7-9-23)21-10-12-22(13-11-21)27(2,3)4/h5-17H,18H2,1-4H3,(H,30,34)/b29-19+InChIKey
YHSHCEISHIQWQK-VUTHCHCSSA-NSynonyms
303107-36-0(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(1(pyridin4yl)ethylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)1PYRIDIN4YLETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(PYRIDIN4YL)ETHYLIDENE)ACETOHYDRAZIDE
303107360
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=NC=C4
InChI=1SC27H28N6OSc119(20141628171520)293024(34)183526323125(33(26)238657923)21101222(131121)27(23)4h517H18H214H3(H3034)b2919+
MFCD02641940
N((1E)2(4PYRIDYL)1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=C(c1ccncc1)C
STK060107
ZINC000009380737
ZINC33500460
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.