Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Catalog ID
STK081319
SMILES COc1cc(OC)c(cc1/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)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 C27H26ClN5O4S MW 552.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O4S/c1-17-5-11-21(12-6-17)33-26(18-7-9-20(28)10-8-18)31-32-27(33)38-16-25(34)30-29-15-19-13-23(36-3)24(37-4)14-22(19)35-2/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+InChIKey
FOCIHVFOOHXCBF-WKULSOCRSA-NSynonyms
(E)2((5(4chlorophenyl)4(ptolyl)4H124triazol3yl)thio)N(245trimethoxybenzylidene)acetohydrazide
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(245TRIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(245TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C=C3OC)OC)OC)C4=CC=C(C=C4)Cl
COc1cc(OC)c(cc1C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)OC
InChI=1SC27H26ClN5O4Sc11751121(12617)3326(187920(28)10818)313227(33)381625(34)302915191323(363)24(374)1422(19)352h515H16H214H3(H3034)b2915+
MFCD02077441
STK081319
ZINC000002389033
ZINC101482752
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.