Vitas-M small molecule compound
5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-[(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
STL558313
SMILES COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)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 C27H32N4O6 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O6/c1-28-24(33)27(25(34)29(2)26(28)35,12-18-8-9-20(36-3)11-22(18)37-4)16-30-13-17-10-19(15-30)21-6-5-7-23(32)31(21)14-17/h5-9,11,17,19H,10,12-16H2,1-4H3/t17-,19+/m0/s1InChIKey
NPQREWVOCRVFGJ-PKOBYXMFSA-NSynonyms
5(24dimethoxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(24dimethoxybenzyl)13dimethyl5((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
COc1ccc(c(c1)OC)CC1(CN2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC27H32N4O6c12824(33)27(25(34)29(2)26(28)3512188920(363)1122(18)374)163013171019(1530)2165723(32)31(21)1417h59111719H101216H214H3t1719+m0s1
ZINC000038550299
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