Vitas-M small molecule compound

2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide

Catalog ID
STK116413
SMILES O=C(Nc1ccc(cc1C)I)CSc1nnc(n1C)Cc1ccccc1

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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 C19H19IN4OS MW 478.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19IN4OS/c1-13-10-15(20)8-9-16(13)21-18(25)12-26-19-23-22-17(24(19)2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKey
SEYBWDDEPJVVBQ-UHFFFAOYSA-N
Synonyms

2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)N(4IODO2METHYLPHENYL)ACETAMIDE
2((5BENZYL4METHYL4H124TRIAZOL3YL)SULFANYL)N(4IODO2METHYLPHENYL)ACETAMIDE
CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3
InChI=1SC19H19IN4OSc1131015(20)8916(13)2118(25)122619232217(24(19)2)11146435714h310H1112H212H3(H2125)
MFCD04127776
ZINC000002836763
ZINC02836763
ZINC2836763

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Available files

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