Vitas-M small molecule compound
1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
Catalog ID
STK550612
SMILES CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)CSc1nccn1C
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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 C30H39N3O5S MW 553.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O5S/c1-6-35-25-11-10-21(17-26(25)36-7-2)16-24-23-19-28(38-9-4)27(37-8-3)18-22(23)12-14-33(24)29(34)20-39-30-31-13-15-32(30)5/h10-11,13,15,17-19,24H,6-9,12,14,16,20H2,1-5H3InChIKey
CTHWJUDHYIXFCI-UHFFFAOYSA-NSynonyms
1(1((34DIETHOXYPHENYL)METHYL)67DIETHOXY34DIHYDRO1HISOQUINOLIN2YL)2(1METHYLIMIDAZOL2YL)SULFANYLETHANONE
1(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)2((1methyl1Himidazol2yl)sulfanyl)ethanone
1(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)2((1methyl1Himidazol2yl)thio)ethanone
CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)CSC4=NC=CN4C)OCC)OCC)OCC
InChI=1SC30H39N3O5Sc163525111021(1726(25)3672)1624231928(3894)27(3783)1822(23)121433(24)29(34)20393031131532(30)5h10111315171924H6912141620H215H3
MFCD03674628
ZINC000102456719
ZINC000102456721
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