Vitas-M small molecule compound

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

Catalog ID
STK289019
SMILES O=C(Nc1cccc(c1)C)CSc1nnc(n1C)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 C13H16N4OS MW 276.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4OS/c1-9-5-4-6-11(7-9)14-12(18)8-19-13-16-15-10(2)17(13)3/h4-7H,8H2,1-3H3,(H,14,18)
InChIKey
BSVJEINDSQQZNP-UHFFFAOYSA-N
Synonyms

2((45DIMETHYL124TRIAZOL3YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2((45DIMETHYL4H124TRIAZOL3YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2(45DIMETHYL4H(124)TRIAZOL3YLSULFANYL)NMTOLYLACETAMIDE
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C
InChI=1SC13H16N4OSc1954611(79)1412(18)81913161510(2)17(13)3h47H8H213H3(H1418)
MFCD02591544
ZINC000000421388
ZINC00421388
ZINC421388

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Available files

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