Vitas-M small molecule compound
5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-5-(4-methoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL527386
SMILES COc1ccc(cc1)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C
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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 C27H33N3O6 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6/c1-17-21-14-23(36-6)22(35-5)13-19(21)11-12-30(17)16-27(15-18-7-9-20(34-4)10-8-18)24(31)28(2)26(33)29(3)25(27)32/h7-10,13-14,17H,11-12,15-16H2,1-6H3/t17-/m0/s1InChIKey
RDFADAZYDGLKNU-KRWDZBQOSA-NSynonyms
790236-55-4(S)5((67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)methyl)5(4methoxybenzyl)13dimethylpyrimidine246(1H3H5H)trione
16397748
5(((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)methyl)5((4methoxyphenyl)methyl)13dimethyl13diazinane246trione
5(((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)methyl)5(4methoxybenzyl)13dimethylpyrimidine246(1H3H5H)trione
790236554
COc1ccc(cc1)CC1(CN2CCc3c((C@@H)2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC27H33N3O6c117211423(366)22(355)1319(21)111230(17)1627(15187920(344)10818)24(31)28(2)26(33)29(3)25(27)32h710131417H11121516H216H3t17m0s1
MFCD03267037
ZINC000020113344
ZINC20113344
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