Vitas-M small molecule compound

2-{[5-(2-cyclohexylethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide

Catalog ID
STK469961
SMILES O=C(NC1CC1)CSc1nnc(n1C)CCC1CCCCC1

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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 C16H26N4OS MW 322.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H26N4OS/c1-20-14(10-7-12-5-3-2-4-6-12)18-19-16(20)22-11-15(21)17-13-8-9-13/h12-13H,2-11H2,1H3,(H,17,21)
InChIKey
XSKGRFVOTQZDKK-UHFFFAOYSA-N
Synonyms

2((5(2cyclohexylethyl)4methyl124triazol3yl)sulfanyl)Ncyclopropylacetamide
2((5(2cyclohexylethyl)4methyl4H124triazol3yl)sulfanyl)Ncyclopropylacetamide
2(5(2CYCLOHEXYLETHYL)4METHYL(124TRIAZOL3YLTHIO))NCYCLOPROPYLACETAMIDE
CN1C(=NN=C1SCC(=O)NC2CC2)CCC3CCCCC3
InChI=1SC16H26N4OSc12014(107125324612)181916(20)221115(21)17138913h1213H211H21H3(H1721)
MFCD06110276
ZINC000017056283
ZINC17056283

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Available files

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