Vitas-M small molecule compound
(2E)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
Catalog ID
STK533893
SMILES COc1cc(/C=C/C(=O)O)cc(c1OC)S(=O)(=O)N1CCCCCC1
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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 C17H23NO6S MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23NO6S/c1-23-14-11-13(7-8-16(19)20)12-15(17(14)24-2)25(21,22)18-9-5-3-4-6-10-18/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)/b8-7+InChIKey
ZWJPEMLXLNYGKJ-BQYQJAHWSA-NSynonyms
(2E)3(3(azepan1ylsulfonyl)45dimethoxyphenyl)prop2enoicacid
(E)3(3(azepan1ylsulfonyl)45dimethoxyphenyl)acrylicacid
(E)3(3(AZEPAN1YLSULFONYL)45DIMETHOXYPHENYL)PROP2ENOICACID
COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCCCCC2)OC
COc1cc(C=CC(=O)O)cc(c1OC)S(=O)(=O)N1CCCCCC1
InChI=1SC17H23NO6Sc123141113(7816(19)20)1215(17(14)242)25(2122)18953461018h781112H36910H212H3(H1920)b87+
MFCD02658252
ZINC000000706964
ZINC706964
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