Vitas-M small molecule compound

4-methyl-N-[4-(methylsulfanyl)-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]cyclohexanecarboxamide

Catalog ID
STK248810
SMILES CSCCC(C(=O)Nc1cccnc1)NC(=O)C1CCC(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 C18H27N3O2S MW 349.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3O2S/c1-13-5-7-14(8-6-13)17(22)21-16(9-11-24-2)18(23)20-15-4-3-10-19-12-15/h3-4,10,12-14,16H,5-9,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
WAVYZDZDRJBBCK-UHFFFAOYSA-N
Synonyms

4methylN(4(methylsulfanyl)1oxo1(pyridin3ylamino)butan2yl)cyclohexanecarboxamide
4methylN(4methylsulfanyl1oxo1(pyridin3ylamino)butan2yl)cyclohexane1carboxamide
CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CN=CC=C2
InChI=1SC18H27N3O2Sc1135714(8613)17(22)2116(911242)18(23)20154310191215h3410121416H5911H212H3(H2023)(H2122)
MFCD03829110
ZINC000003895664
ZINC000003895665

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Available files

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