Vitas-M small molecule compound

2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK109093
SMILES COc1cc(OC)cc(c1/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)Cl)OC

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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 C22H24ClN5O4S MW 489.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O4S/c1-5-28-21(14-6-8-15(23)9-7-14)26-27-22(28)33-13-20(29)25-24-12-17-18(31-3)10-16(30-2)11-19(17)32-4/h6-12H,5,13H2,1-4H3,(H,25,29)/b24-12+
InChIKey
VNHWMKKYYXTDHB-WYMPLXKRSA-N
Synonyms
488747-39-3
(E)2((5(4chlorophenyl)4ethyl4H124triazol3yl)thio)N(246trimethoxybenzylidene)acetohydrazide
2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(246TRIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(246TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488747393
CCN1C(=NN=C1SCC(=O)NN=CC2=C(C=C(C=C2OC)OC)OC)C3=CC=C(C=C3)Cl
COc1cc(OC)cc(c1C=NNC(=O)CSc1nnc(n1CC)c1ccc(cc1)Cl)OC
InChI=1SC22H24ClN5O4Sc152821(146815(23)9714)262722(28)331320(29)2524121718(313)1016(302)1119(17)324h612H513H214H3(H2529)b2412+
MFCD03218756
N((1E)2(246TRIMETHOXYPHENYL)1AZAVINYL)2(5(4CHLOROPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001293745
ZINC33333297

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Available files

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