Vitas-M small molecule compound
5-(2,4-dimethoxybenzyl)-1-(2-ethoxyphenyl)-5-{[(1S,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
STL526976
SMILES CCOc1ccccc1N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1OC)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 C33H36N4O7 MW 600.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O7/c1-4-44-27-10-6-5-8-26(27)37-31(40)33(30(39)34-32(37)41,16-22-12-13-24(42-2)15-28(22)43-3)20-35-17-21-14-23(19-35)25-9-7-11-29(38)36(25)18-21/h5-13,15,21,23H,4,14,16-20H2,1-3H3,(H,34,39,41)/t21-,23+,33?/m0/s1InChIKey
PEVSCFOOQCXDTB-XPPJPBPGSA-NSynonyms
5(24dimethoxybenzyl)1(2ethoxyphenyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(24dimethoxybenzyl)1(2ethoxyphenyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
CCOc1ccccc1N1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1OC)OC
InChI=1SC33H36N4O7c1444271065826(27)3731(40)33(30(39)3432(37)411622121324(422)1528(22)433)203517211423(1935)25971129(38)36(25)1821h513152123H4141620H213H3(H343941)t2123+33?m0s1
MFCD03006087
ZINC000070671984
ZINC000070671986
Check stock
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