Vitas-M small molecule compound
(2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-{1-[(2-fluorophenyl)sulfonyl]piperidin-4-yl}ethanone
Catalog ID
STK580388
SMILES COc1cc2/C(=C/C(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3F)/NCCc2cc1OC
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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 C24H27FN2O5S MW 474.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN2O5S/c1-31-22-13-17-7-10-26-20(18(17)14-23(22)32-2)15-21(28)16-8-11-27(12-9-16)33(29,30)24-6-4-3-5-19(24)25/h3-6,13-16,26H,7-12H2,1-2H3/b20-15-InChIKey
KCBMCIGAQLXSKV-HKWRFOASSA-NSynonyms
883951-24-4(2Z)2(67dimethoxy34dihydro2Hisoquinolin1ylidene)1(1(2fluorophenyl)sulfonylpiperidin4yl)ethanone
(2Z)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)1(1((2fluorophenyl)sulfonyl)piperidin4yl)ethanone
(Z)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)1(1((2fluorophenyl)sulfonyl)piperidin4yl)ethanone
883951244
COC1=C(C=C2C(=C1)CCNC2=CC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)OC
COc1cc2C(=CC(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3F)NCCc2cc1OC
InChI=1SC24H27FN2O5Sc1312213177102620(18(17)1423(22)322)1521(28)1681127(12916)33(2930)24643519(24)25h36131626H712H212H3b2015
MFCD07638220
ZINC000013576513
ZINC13576513
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