Vitas-M small molecule compound

2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide

Catalog ID
STK106543
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)C)N/N=C/c1cccs1

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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 C22H18ClN5OS2 MW 468.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5OS2/c1-15-4-6-16(7-5-15)21-26-27-22(28(21)18-10-8-17(23)9-11-18)31-14-20(29)25-24-13-19-3-2-12-30-19/h2-13H,14H2,1H3,(H,25,29)/b24-13+
InChIKey
JRIYXSIAJXUGDE-ZMOGYAJESA-N
Synonyms
488827-39-0
(E)2((4(4chlorophenyl)5(ptolyl)4H124triazol3yl)thio)N(thiophen2ylmethylene)acetohydrazide
2((4(4CHLOROPHENYL)5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)THIOPHEN2YLMETHYLIDENEAMINO)ACETAMIDE
2((4(4CHLOROPHENYL)5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)THIOPHEN2YLMETHYLIDENE)ACETOHYDRAZIDE
488827390
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CS4
InChI=1SC22H18ClN5OS2c1154616(7515)21262722(28(21)1810817(23)91118)311420(29)2524131932123019h213H14H21H3(H2529)b2413+
MFCD03220183
N((1E)2(2THIENYL)1AZAVINYL)2(4(4CHLOROPHENYL)5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)C)NN=Cc1cccs1
ZINC000001857476
ZINC33345590

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Available files

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