Vitas-M small molecule compound
(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid
Catalog ID
STK542995
SMILES OC(=O)/C=C/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 C16H21NO4S MW 323.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO4S/c1-13-6-7-14(8-9-16(18)19)12-15(13)22(20,21)17-10-4-2-3-5-11-17/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)/b9-8+InChIKey
YUKRUYFECKPSNI-CMDGGOBGSA-NSynonyms
327094-06-4(2E)3(3(AZAPERHYDROEPINYLSULFONYL)4METHYLPHENYL)PROP2ENOICACID
(2E)3(3(azepan1ylsulfonyl)4methylphenyl)prop2enoicacid
(E)3(3(azepan1ylsulfonyl)4methylphenyl)acrylicacid
(E)3(3(AZEPAN1YLSULFONYL)4METHYLPHENYL)PROP2ENOICACID
327094064
CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCCCCC2
InChI=1SC16H21NO4Sc1136714(8916(18)19)1215(13)22(2021)171042351117h6912H251011H21H3(H1819)b98+
MFCD02659581
OC(=O)C=Cc1ccc(c(c1)S(=O)(=O)N1CCCCCC1)C
ZINC000000351078
ZINC351078
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