Vitas-M small molecule compound
(2E)-3-{[4-(azepan-1-ylsulfonyl)phenyl]amino}-1-(4-butoxyphenyl)prop-2-en-1-one
Catalog ID
STK902419
SMILES CCCCOc1ccc(cc1)C(=O)/C=C/Nc1ccc(cc1)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 C25H32N2O4S MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O4S/c1-2-3-20-31-23-12-8-21(9-13-23)25(28)16-17-26-22-10-14-24(15-11-22)32(29,30)27-18-6-4-5-7-19-27/h8-17,26H,2-7,18-20H2,1H3/b17-16+InChIKey
HMQLCFKPWRUOFO-WUKNDPDISA-NSynonyms
(2E)3((4(azepan1ylsulfonyl)phenyl)amino)1(4butoxyphenyl)prop2en1one
(E)3(4(azepan1ylsulfonyl)anilino)1(4butoxyphenyl)prop2en1one
CCCCOC1=CC=C(C=C1)C(=O)C=CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3
CCCCOc1ccc(cc1)C(=O)C=CNc1ccc(cc1)S(=O)(=O)N1CCCCCC1
InChI=1SC25H32N2O4Sc12320312312821(91323)25(28)16172622101424(151122)32(2930)271864571927h81726H271820H21H3b1716+
MFCD18174945
ZINC000044843307
ZINC44843307
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