Vitas-M small molecule compound
(2Z)-1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Catalog ID
STK582828
SMILES COc1cc2/C(=C/C(=O)c3ccc(cc3)S(=O)(=O)N3CCCCCC3)/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 C25H30N2O5S MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5S/c1-31-24-15-19-11-12-26-22(21(19)16-25(24)32-2)17-23(28)18-7-9-20(10-8-18)33(29,30)27-13-5-3-4-6-14-27/h7-10,15-17,26H,3-6,11-14H2,1-2H3/b22-17-InChIKey
PDDMADQGRQNHCA-XLNRJJMWSA-NSynonyms
883951-25-5(2Z)1(4(azepan1ylsulfonyl)phenyl)2(67dimethoxy34dihydro2Hisoquinolin1ylidene)ethanone
(2Z)1(4(azepan1ylsulfonyl)phenyl)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)ethanone
(Z)1(4(azepan1ylsulfonyl)phenyl)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)ethanone
1(4(1AZEPANYLSULFONYL)PHENYL)2(67DIMETHOXY34DIHYDRO1(2H)ISOQUINOLINYLIDENE)ETHANONE
883951255
COC1=C(C=C2C(=C1)CCNC2=CC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC
COc1cc2C(=CC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCCC3)NCCc2cc1OC
InChI=1SC25H30N2O5Sc13124151911122622(21(19)1625(24)322)1723(28)187920(10818)33(2930)271353461427h710151726H361114H212H3b2217
MFCD07639915
ZINC000009129268
ZINC09129268
ZINC9129268
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