Vitas-M small molecule compound
[4-(azepan-1-ylsulfonyl)phenyl](6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STK587307
SMILES COc1cc2c(cc1OC)CCN(C2=C)C(=O)c1ccc(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 C25H30N2O5S MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5S/c1-18-22-17-24(32-3)23(31-2)16-20(22)12-15-27(18)25(28)19-8-10-21(11-9-19)33(29,30)26-13-6-4-5-7-14-26/h8-11,16-17H,1,4-7,12-15H2,2-3H3InChIKey
YJLGBEQXPNVABZ-UHFFFAOYSA-NSynonyms
883957-42-4(4(azepan1ylsulfonyl)phenyl)(67dimethoxy1methylene34dihydroisoquinolin2(1H)yl)methanone
(4(azepan1ylsulfonyl)phenyl)(67dimethoxy1methylidene34dihydroisoquinolin2(1H)yl)methanone
(4(AZEPAN1YLSULFONYL)PHENYL)(67DIMETHOXY1METHYLIDENE34DIHYDROISOQUINOLIN2YL)METHANONE
883957424
COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC
InChI=1SC25H30N2O5Sc118221724(323)23(312)1620(22)121527(18)25(28)1981021(11919)33(2930)261364571426h8111617H1471215H223H3
MFCD06778850
ZINC000009488153
ZINC09488153
ZINC9488153
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