Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,6-dichlorophenyl)methylidene]acetohydrazide

Catalog ID
STK030304
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1c(Cl)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 C27H25Cl2N5OS MW 538.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25Cl2N5OS/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
RKRDQHGKSXCYCH-OKCVXOCRSA-N
Synonyms
361164-14-9
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(26dichlorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(26DICHLOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(26DICHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361164149
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=C(C=CC=C4Cl)Cl
InChI=1SC27H25Cl2N5OSc127(23)19141218(131519)25323326(34(25)208546920)361724(35)3130162122(28)1071123(21)29h416H17H213H3(H3135)b3016+
MFCD02641881
N((1E)2(26DICHLOROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1c(Cl)cccc1Cl
STK030304
ZINC000002329653
ZINC101414255

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Available files

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