Vitas-M small molecule compound

3-(azepan-1-ylsulfonyl)-4-methylbenzoic acid

Catalog ID
STK825891
SMILES OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)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 C14H19NO4S MW 297.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NO4S/c1-11-6-7-12(14(16)17)10-13(11)20(18,19)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)
InChIKey
UCFDVVVEEVSDPW-UHFFFAOYSA-N
Synonyms
418790-58-6
3(AZAPERHYDROEPINYLSULFONYL)4METHYLBENZOICACID
3(azepan1ylsulfonyl)4methylbenzoicacid
418790586
CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2
InChI=1SC14H19NO4Sc1116712(14(16)17)1013(11)20(1819)1584235915h6710H2589H21H3(H1617)
MFCD01469553
ZINC000003684518
ZINC3684518

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Available files

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