Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
Catalog ID
STL362406
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1c(F)cccc1Cl
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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 C27H25ClFN5OS MW 522.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClFN5OS/c1-27(2,3)19-14-12-18(13-15-19)25-32-33-26(34(25)20-8-5-4-6-9-20)36-17-24(35)31-30-16-21-22(28)10-7-11-23(21)29/h4-16H,17H2,1-3H3,(H,31,35)/b30-16+InChIKey
URURNZGSXBHFDM-OKCVXOCRSA-NSynonyms
361476-70-2(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(2chloro6fluorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(2CHLORO6FLUOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)N((E)(2chloro6fluorophenyl)methylidene)acetohydrazide
361476702
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=C(C=CC=C4Cl)F
InChI=1SC27H25ClFN5OSc127(23)19141218(131519)25323326(34(25)208546920)361724(35)3130162122(28)1071123(21)29h416H17H213H3(H3135)b3016+
MFCD02641871
N((1E)2(2CHLORO6FLUOROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1c(F)cccc1Cl
ZINC000002331978
ZINC33361265
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.