Vitas-M small molecule compound
1-(4-ethoxyphenyl)-5-(4-methoxybenzyl)-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
STL526819
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)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 C32H34N4O6 MW 570.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O6/c1-3-42-26-13-9-24(10-14-26)36-30(39)32(29(38)33-31(36)40,16-21-7-11-25(41-2)12-8-21)20-34-17-22-15-23(19-34)27-5-4-6-28(37)35(27)18-22/h4-14,22-23H,3,15-20H2,1-2H3,(H,33,38,40)/t22-,23+,32?/m0/s1InChIKey
LKQXDSSDFXZCGS-ODFFKVLCSA-NSynonyms
1(4ethoxyphenyl)5(4methoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
1(4ethoxyphenyl)5(4methoxybenzyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
CCOc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OC
InChI=1SC32H34N4O6c13422613924(101426)3630(39)32(29(38)3331(36)40162171125(412)12821)203417221523(1934)2754628(37)35(27)1822h4142223H31520H212H3(H333840)t2223+32?m0s1
MFCD03006454
ZINC000002087547
ZINC000002087550
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