Vitas-M small molecule compound

N'-[(1E)-1-(2,4-dichlorophenyl)ethylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STL071005
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(/c1ccc(cc1Cl)Cl)\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 C26H23Cl2N5O3S MW 556.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23Cl2N5O3S/c1-16(20-11-10-18(27)14-21(20)28)29-30-24(34)15-37-26-32-31-25(33(26)19-7-5-4-6-8-19)17-9-12-22(35-2)23(13-17)36-3/h4-14H,15H2,1-3H3,(H,30,34)/b29-16+
InChIKey
LPAKBVHGBYUDGJ-MUFRIFMGSA-N
Synonyms

(E)N(1(24dichlorophenyl)ethylidene)2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)acetohydrazide
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)C4=C(C=C(C=C4)Cl)Cl
COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=C(c1ccc(cc1Cl)Cl)C
InChI=1SC26H23Cl2N5O3Sc116(20111018(27)1421(20)28)293024(34)153726323125(33(26)197546819)1791222(352)23(1317)363h414H15H213H3(H3034)b2916+
MFCD02076785
N((1E)1(24dichlorophenyl)ethylidene)2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)acetohydrazide
N((1E)2(24DICHLOROPHENYL)1AZAPROP1ENYL)2(5(34DIMETHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)1(24dichlorophenyl)ethylideneamino)2((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)acetamide
ZINC000100611870
ZINC102964900

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Available files

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