Vitas-M small molecule compound

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

Catalog ID
STK047805
SMILES O=C(N/N=C(/c1ccc(cc1Cl)Cl)\C)CSc1nnc(n1c1ccc(cc1)C)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 C25H20Cl3N5OS MW 544.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl3N5OS/c1-15-3-10-20(11-4-15)33-24(17-5-7-18(26)8-6-17)31-32-25(33)35-14-23(34)30-29-16(2)21-12-9-19(27)13-22(21)28/h3-13H,14H2,1-2H3,(H,30,34)/b29-16+
InChIKey
XJOLTMCSUJATMS-MUFRIFMGSA-N
Synonyms

(Z)2((5(4chlorophenyl)4(ptolyl)4H124triazol3yl)thio)N(1(24dichlorophenyl)ethylidene)acetohydrazide
2((5(4chlorophenyl)4(4methylphenyl)124triazol3yl)sulfanyl)N((E)1(24dichlorophenyl)ethylideneamino)acetamide
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E)1(24DICHLOROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=C(C)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl
InChI=1SC25H20Cl3N5OSc11531020(11415)3324(175718(26)8617)313225(33)351423(34)302916(2)2112919(27)1322(21)28h313H14H212H3(H3034)b2916+
MFCD02077506
O=C(NN=C(c1ccc(cc1Cl)Cl)C)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl
STK047805
ZINC000100612538
ZINC100902073

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Available files

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