Vitas-M small molecule compound

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

Catalog ID
STK041083
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)N/N=C/c1ccc(cc1)C(C)(C)C

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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 C27H26ClN5OS MW 504.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5OS/c1-27(2,3)21-11-9-19(10-12-21)17-29-30-24(34)18-35-26-32-31-25(20-7-5-4-6-8-20)33(26)23-15-13-22(28)14-16-23/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+
InChIKey
JDBMWGISLPUCAA-STBIYBPSSA-N
Synonyms
315199-70-3
(E)N(4(tertbutyl)benzylidene)2((4(4chlorophenyl)5phenyl4H124triazol3yl)thio)acetohydrazide
315199703
CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI=1SC27H26ClN5OSc127(23)2111919(101221)17293024(34)183526323125(207546820)33(26)23151322(28)141623h417H18H213H3(H3034)b2917+
MFCD02075511
N((1E)2(4(TERTBUTYL)PHENYL)1AZAVINYL)2(4(4CHLOROPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(4TERTBUTYLPHENYL)METHYLIDENE)2((4(4CHLOROPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)2((4(4CHLOROPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)NN=Cc1ccc(cc1)C(C)(C)C
STK041083
ZINC000002338519
ZINC33361461

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Available files

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