Vitas-M small molecule compound

4-[({[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide

Catalog ID
STK590999
SMILES O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

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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 C23H20N6O2S MW 444.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6O2S/c1-15-5-11-18(12-6-15)29-22(19-4-2-3-13-25-19)27-28-23(29)32-14-20(30)26-17-9-7-16(8-10-17)21(24)31/h2-13H,14H2,1H3,(H2,24,31)(H,26,30)
InChIKey
NMANSBPKLDMFLI-UHFFFAOYSA-N
Synonyms
896848-43-4
4((((4(4methylphenyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzamide
4((2((4(4METHYLPHENYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZAMIDE
4(2((4(4METHYLPHENYL)5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZAMIDE
4(2((5(pyridin2yl)4(ptolyl)4H124triazol3yl)thio)acetamido)benzamide
4(2(4(4METHYLPHENYL)5(2PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZAMIDE
896848434
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=N4
InChI=1SC23H20N6O2Sc11551118(12615)2922(19423132519)272823(29)321420(30)26179716(81017)21(24)31h213H14H21H3(H22431)(H2630)
MFCD06602767
ZINC000002236415
ZINC02236415
ZINC2236415

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Available files

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