Vitas-M small molecule compound

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

Catalog ID
STK027451
SMILES CCc1ccc(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 C29H31N5OS MW 497.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5OS/c1-5-21-11-13-22(14-12-21)19-30-31-26(35)20-36-28-33-32-27(34(28)25-9-7-6-8-10-25)23-15-17-24(18-16-23)29(2,3)4/h6-19H,5,20H2,1-4H3,(H,31,35)/b30-19+
InChIKey
GNYQDTZPBZVTMC-NDZAJKAJSA-N
Synonyms
361164-35-4
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(4ethylbenzylidene)acetohydrazide
2((5(4tertbutylphenyl)4phenyl124triazol3yl)sulfanyl)N((E)(4ethylphenyl)methylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4ETHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361164354
CCC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
CCc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI=1SC29H31N5OSc1521111322(141221)19303126(35)203628333227(34(28)2597681025)23151724(181623)29(23)4h619H520H214H3(H3135)b3019+
MFCD02641897
N((1E)2(4ETHYLPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK027451
ZINC000002597491
ZINC33784073

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.