Vitas-M small molecule compound

N-{[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}isovaline

Catalog ID
STK692502
SMILES CCC(C(=O)O)(NS(=O)(=O)c1cc(ccc1C)N1CCCC1=O)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 C16H22N2O5S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O5S/c1-4-16(3,15(20)21)17-24(22,23)13-10-12(8-7-11(13)2)18-9-5-6-14(18)19/h7-8,10,17H,4-6,9H2,1-3H3,(H,20,21)
InChIKey
LWIITQRWSCAVBU-UHFFFAOYSA-N
Synonyms

2METHYL2(((2METHYL5(2OXOPYRROLIDINYL)PHENYL)SULFONYL)AMINO)BUTANOICACID
2methyl2((2methyl5(2oxopyrrolidin1yl)phenyl)sulfonylamino)butanoicacid
CCC(C)(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)N2CCCC2=O)C
InChI=1SC16H22N2O5Sc1416(315(20)21)1724(2223)131012(8711(13)2)1895614(18)19h781017H469H213H3(H2021)
MFCD10038516
N((2methyl5(2oxopyrrolidin1yl)phenyl)sulfonyl)isovaline
ZINC000015083875
ZINC000015083877

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Available files

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