Vitas-M small molecule compound

Catalog ID
STK716542
SMILES CCC([C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)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 C18H25FN2O5S MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25FN2O5S/c1-3-12(2)16(18(23)24)20-17(22)13-5-4-10-21(11-13)27(25,26)15-8-6-14(19)7-9-15/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,22)(H,23,24)/t12?,13?,16-/m0/s1
InChIKey
HXZOBIAOZCNCQG-ZUEPYMLJSA-N
Synonyms
956973-19-6
(2S)2((1(4fluorophenyl)sulfonylpiperidine3carbonyl)amino)3methylpentanoicacid
(2S3R)2(1((4fluorophenyl)sulfonyl)piperidine3carboxamido)3methylpentanoicacid
956973196
CCC((C@@H)(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)C
CCC(C)C(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F
InChI=1SC18H25FN2O5Sc1312(2)16(18(23)24)2017(22)13541021(1113)27(2526)158614(19)7915h69121316H351011H212H3(H2022)(H2324)t12?13?16m0s1
ZINC000011767085
ZINC000011767108

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Available files

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