Vitas-M small molecule compound

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

Catalog ID
STK567418
SMILES CCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl

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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/c1-3-36-22-13-4-17(14-23(22)35-2)15-29-30-24(34)16-37-26-32-31-25(18-5-7-19(27)8-6-18)33(26)21-11-9-20(28)10-12-21/h4-15H,3,16H2,1-2H3,(H,30,34)/b29-15+
InChIKey
GMIJWOITGVIRBY-WKULSOCRSA-N
Synonyms

(E)2((45bis(4chlorophenyl)4H124triazol3yl)thio)N(4ethoxy3methoxybenzylidene)acetohydrazide
2((45BIS(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4ETHOXY3METHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45bis(4chlorophenyl)4H124triazol3yl)sulfanyl)N((E)(4ethoxy3methoxyphenyl)methylidene)acetohydrazide
CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)OC
CCOc1ccc(cc1OC)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl
InChI=1SC26H23Cl2N5O3Sc13362213417(1423(22)352)15293024(34)163726323125(185719(27)8618)33(26)2111920(28)101221h415H316H212H3(H3034)b2915+
MFCD03091242
N((1E)2(4ETHOXY3METHOXYPHENYL)1AZAVINYL)2(45BIS(4CHLOROPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001896950
ZINC102547383

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Available files

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