Vitas-M small molecule compound

N-cyclopropyl-2-[(4-methyl-5-{[(methylsulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Catalog ID
STL365988
SMILES O=C(NC1CC1)CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccccc1

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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 C16H21N5O3S2 MW 395.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N5O3S2/c1-20-14(10-21(26(2,23)24)13-6-4-3-5-7-13)18-19-16(20)25-11-15(22)17-12-8-9-12/h3-7,12H,8-11H2,1-2H3,(H,17,22)
InChIKey
VRPVAGNQQDLZLP-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2CC2)CN(C3=CC=CC=C3)S(=O)(=O)C
InChI=1SC16H21N5O3S2c12014(1021(26(223)24)136435713)181916(20)251115(22)17128912h3712H811H212H3(H1722)
MFCD14833874
Ncyclopropyl2((4methyl5(((methylsulfonyl)(phenyl)amino)methyl)4H124triazol3yl)sulfanyl)acetamide
Ncyclopropyl2((4methyl5((Nmethylsulfonylanilino)methyl)124triazol3yl)sulfanyl)acetamide
ZINC000015019785
ZINC15019785

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Available files

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