Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]acetohydrazide

Catalog ID
STK061049
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccc(cc1Cl)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 C27H25Cl2N5OS MW 538.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25Cl2N5OS/c1-27(2,3)20-12-9-18(10-13-20)25-32-33-26(34(25)22-7-5-4-6-8-22)36-17-24(35)31-30-16-19-11-14-21(28)15-23(19)29/h4-16H,17H2,1-3H3,(H,31,35)/b30-16+
InChIKey
KALSWYZFJCDUAT-OKCVXOCRSA-N
Synonyms
361164-40-1
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(24dichlorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(24DICHLOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(24DICHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361164401
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC27H25Cl2N5OSc127(23)2012918(101320)25323326(34(25)227546822)361724(35)31301619111421(28)1523(19)29h416H17H213H3(H3135)b3016+
MFCD02641902
N((1E)2(24DICHLOROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1ccc(cc1Cl)Cl
STK061049
ZINC000002297252
ZINC101457074

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Available files

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