Vitas-M small molecule compound

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

Catalog ID
STK023866
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccncc1

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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 C26H26N6OS MW 470.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6OS/c1-26(2,3)21-11-9-20(10-12-21)24-30-31-25(32(24)22-7-5-4-6-8-22)34-18-23(33)29-28-17-19-13-15-27-16-14-19/h4-17H,18H2,1-3H3,(H,29,33)/b28-17+
InChIKey
QWVVRKMVZBEZEG-OGLMXYFKSA-N
Synonyms
361476-75-7
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(pyridin4ylmethylene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)PYRIDIN4YLMETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)PYRIDIN4YLMETHYLIDENE)ACETOHYDRAZIDE
361476757
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=NC=C4
InChI=1SC26H26N6OSc126(23)2111920(101221)24303125(32(24)227546822)341823(33)29281719131527161419h417H18H213H3(H2933)b2817+
MFCD02224451
N((1E)2(4PYRIDYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1ccncc1
STK023866
ZINC000001830440
ZINC33345206

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Available files

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