Vitas-M small molecule compound

2-[(4-methylphenyl)(methylsulfonyl)amino]butanoic acid

Catalog ID
STK873772
SMILES CCC(N(S(=O)(=O)C)c1ccc(cc1)C)C(=O)O

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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 C12H17NO4S MW 271.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17NO4S/c1-4-11(12(14)15)13(18(3,16)17)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3,(H,14,15)
InChIKey
BTMDVCIJJNFLPG-UHFFFAOYSA-N
Synonyms
1218292-36-4
1218292364
2((4methylphenyl)(methylsulfonyl)amino)butanoicacid
2(4methylNmethylsulfonylanilino)butanoicacid
2(N(4METHYLPHENYL)METHANESULFONAMIDO)BUTANOICACID
CCC(C(=O)O)N(C1=CC=C(C=C1)C)S(=O)(=O)C
InChI=1SC12H17NO4Sc1411(12(14)15)13(18(316)17)10759(2)6810h5811H4H213H3(H1415)
MFCD18170145
ZINC000039315699
ZINC000039315700

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Available files

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