Vitas-M small molecule compound

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

Catalog ID
STK051708
SMILES CCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1

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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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-2-33-22-14-8-18(9-15-22)16-27-28-23(32)17-34-25-30-29-24(19-6-4-3-5-7-19)31(25)21-12-10-20(26)11-13-21/h3-16H,2,17H2,1H3,(H,28,32)/b27-16+
InChIKey
MJILEGNCNCUHDV-JVWAILMASA-N
Synonyms
315199-66-7
(E)2((4(4chlorophenyl)5phenyl4H124triazol3yl)thio)N(4ethoxybenzylidene)acetohydrazide
2((4(4CHLOROPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4ETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4CHLOROPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4ETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
315199667
CCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
CCOc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1
InChI=1SC25H22ClN5O2Sc12332214818(91522)16272823(32)173425302924(196435719)31(25)21121020(26)111321h316H217H21H3(H2832)b2716+
MFCD02075507
N((1E)2(4ETHOXYPHENYL)1AZAVINYL)2(4(4CHLOROPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK051708
ZINC000001816493
ZINC33344944

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Available files

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