Vitas-M small molecule compound

N-cyclohexyl-2-({4-methyl-5-[1-(4-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK401459
SMILES CC(c1nnc(n1C)SCC(=O)NC1CCCCC1)Oc1ccc(cc1)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 C20H28N4O2S MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O2S/c1-14-9-11-17(12-10-14)26-15(2)19-22-23-20(24(19)3)27-13-18(25)21-16-7-5-4-6-8-16/h9-12,15-16H,4-8,13H2,1-3H3,(H,21,25)
InChIKey
WXTFFFLRGXSYMZ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC(=O)NC3CCCCC3
InChI=1SC20H28N4O2Sc11491117(121014)2615(2)19222320(24(19)3)271318(25)21167546816h9121516H4813H213H3(H2125)
MFCD06049443
Ncyclohexyl2((4methyl5(1(4methylphenoxy)ethyl)124triazol3yl)sulfanyl)acetamide
Ncyclohexyl2((4methyl5(1(4methylphenoxy)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000013866490
ZINC000013866491

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Available files

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