Vitas-M small molecule compound

N-(3-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK053342
SMILES O=C(Nc1cccc(c1)C)CSc1nnc(n1c1ccc(cc1)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 C23H21N5OS MW 415.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5OS/c1-16-6-8-20(9-7-16)28-22(18-10-12-24-13-11-18)26-27-23(28)30-15-21(29)25-19-5-3-4-17(2)14-19/h3-14H,15H2,1-2H3,(H,25,29)
InChIKey
DHGPPTFELOSIBZ-UHFFFAOYSA-N
Synonyms
482640-21-1
2((5(pyridin4yl)4(ptolyl)4H124triazol3yl)thio)N(mtolyl)acetamide
2(5PYRIDIN4YL4PTOLYL4H(124)TRIAZOL3YLSULFANYL)NMTOLYLACETAMIDE
482640211
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C)C4=CC=NC=C4
InChI=1SC23H21N5OSc1166820(9716)2822(18101224131118)262723(28)301521(29)251953417(2)1419h314H15H212H3(H2529)
MFCD02740023
N(3METHYLPHENYL)2((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3METHYLPHENYL)2((4(4METHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3METHYLPHENYL)2(4(4METHYLPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(Nc1cccc(c1)C)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
STK053342
ZINC000000907626
ZINC00907626
ZINC907626

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Available files

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