Vitas-M small molecule compound

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

Catalog ID
STK105192
SMILES CCn1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnc1c1ccc(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 C23H26N6O3S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N6O3S/c1-5-28-21(16-10-12-18(13-11-16)23(2,3)4)26-27-22(28)33-15-20(30)25-24-14-17-8-6-7-9-19(17)29(31)32/h6-14H,5,15H2,1-4H3,(H,25,30)/b24-14+
InChIKey
XJNURZQAOLNIOZ-ZVHZXABRSA-N
Synonyms
488861-63-8
(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(2nitrobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(2NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(2NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488861638
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2(N+)(=O)(O))C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=Cc2ccccc2(N+)(=O)(O))nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC23H26N6O3Sc152821(16101218(131116)23(23)4)262722(28)331520(30)25241417867919(17)29(31)32h614H515H214H3(H2530)b2414+
MFCD03219175
N((1E)2(2NITROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001823123
ZINC33345051

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Available files

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