Vitas-M small molecule compound
5-(2,4-dimethoxybenzyl)-1-(4-ethylphenyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL524450
SMILES COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
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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 C33H36N4O6 MW 584.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O6/c1-4-21-8-11-25(12-9-21)37-31(40)33(30(39)34-32(37)41,16-23-10-13-26(42-2)15-28(23)43-3)20-35-17-22-14-24(19-35)27-6-5-7-29(38)36(27)18-22/h5-13,15,22,24H,4,14,16-20H2,1-3H3,(H,34,39,41)/t22-,24+,33?/m0/s1InChIKey
FDXPBVRFVNZVSE-FVMGRGGGSA-NSynonyms
5(24dimethoxybenzyl)1(4ethylphenyl)5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
5(24dimethoxybenzyl)1(4ethylphenyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
COc1ccc(c(c1)OC)CC1(CN2C(C@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
InChI=1SC33H36N4O6c142181125(12921)3731(40)33(30(39)3432(37)411623101326(422)1528(23)433)203517221424(1935)2765729(38)36(27)1822h513152224H4141620H213H3(H343941)t2224+33?m0s1
MFCD01548391
ZINC000100743157
ZINC000100743159
Check stock
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Check stock on Vitas-MAvailable files
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