Vitas-M small molecule compound

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

Catalog ID
STK088928
SMILES CCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-5-36-25-17-11-21(12-18-25)19-30-31-26(35)20-37-28-33-32-27(34(28)24-9-7-6-8-10-24)22-13-15-23(16-14-22)29(2,3)4/h6-19H,5,20H2,1-4H3,(H,31,35)/b30-19+
InChIKey
YINXCGRMRKXEDB-NDZAJKAJSA-N
Synonyms
361476-78-0
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(4ethoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4ETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4ETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361476780
CCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
CCOc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI=1SC29H31N5O2Sc153625171121(121825)19303126(35)203728333227(34(28)2497681024)22131523(161422)29(23)4h619H520H214H3(H3135)b3019+
MFCD02641878
N((1E)2(4ETHOXYPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK088928
ZINC000002349871
ZINC33362376

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Available files

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