Vitas-M small molecule compound

N-[1-(3,4-dimethylphenoxy)propan-2-yl]-1-(methylsulfonyl)piperidine-3-carboxamide

Catalog ID
STL367007
SMILES CC(NC(=O)C1CCCN(C1)S(=O)(=O)C)COc1ccc(c(c1)C)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 C18H28N2O4S MW 368.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N2O4S/c1-13-7-8-17(10-14(13)2)24-12-15(3)19-18(21)16-6-5-9-20(11-16)25(4,22)23/h7-8,10,15-16H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChIKey
MBWVARHZBPUHNP-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)OCC(C)NC(=O)C2CCCN(C2)S(=O)(=O)C)C
InChI=1SC18H28N2O4Sc1137817(1014(13)2)241215(3)1918(21)1665920(1116)25(422)23h78101516H5691112H214H3(H1921)
MFCD22439579
N(1(34dimethylphenoxy)propan2yl)1(methylsulfonyl)piperidine3carboxamide
N(1(34dimethylphenoxy)propan2yl)1methylsulfonylpiperidine3carboxamide
ZINC000072441358
ZINC000072441366

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Available files

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