Vitas-M small molecule compound
1-{2-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}-4-(4-fluorophenyl)piperazin-1-ium
Catalog ID
STL147351
SMILES CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)C[NH+]1CCN(CC1)c1ccc(cc1)F
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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 C36H47FN3O5 MW 620.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H46FN3O5/c1-5-42-32-14-9-26(22-33(32)43-6-2)21-31-30-24-35(45-8-4)34(44-7-3)23-27(30)15-16-40(31)36(41)25-38-17-19-39(20-18-38)29-12-10-28(37)11-13-29/h9-14,22-24,31H,5-8,15-21,25H2,1-4H3/p+1InChIKey
RJGJXEXPZDTRON-UHFFFAOYSA-OSynonyms
1(1((34DIETHOXYPHENYL)METHYL)67DIETHOXY34DIHYDRO1HISOQUINOLIN2YL)2(4(4FLUOROPHENYL)PIPERAZIN1IUM1YL)ETHANONE
1(2(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)4(4fluorophenyl)piperazin1ium
CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C(NH+)4CCN(CC4)C5=CC=C(C=C5)F)OCC)OCC)OCC
CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)C(NH+)1CCN(CC1)c1ccc(cc1)F
InChI=1SC36H46FN3O5c15423214926(2233(32)4362)2131302435(4584)34(4473)2327(30)151640(31)36(41)2538171939(201838)29121028(37)111329h914222431H58152125H214H3p+1
ZINC000102851774
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