Vitas-M small molecule compound
[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl][2-methoxy-4-(methylsulfanyl)phenyl]methanone
Catalog ID
STK666126
SMILES CSc1ccc(c(c1)OC)C(=O)N1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
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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 C29H33NO6S MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6S/c1-32-24-10-7-18(14-26(24)34-3)13-23-22-17-28(36-5)27(35-4)15-19(22)11-12-30(23)29(31)21-9-8-20(37-6)16-25(21)33-2/h7-10,14-17,23H,11-13H2,1-6H3InChIKey
JPKKFYWHIJARDJ-UHFFFAOYSA-NSynonyms
(1((34DIMETHOXYPHENYL)METHYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)(2METHOXY4METHYLSULFANYLPHENYL)METHANONE
(1(34dimethoxybenzyl)67dimethoxy34dihydroisoquinolin2(1H)yl)(2methoxy4(methylsulfanyl)phenyl)methanone
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C=C(C=C4)SC)OC)OC)OC)OC
InChI=1SC29H33NO6Sc1322410718(1426(24)343)1323221728(365)27(354)1519(22)111230(23)29(31)219820(376)1625(21)332h710141723H1113H216H3
MFCD06014532
ZINC000012371288
ZINC000012371289
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