Vitas-M small molecule compound
5-(2,6-dichlorobenzyl)-1,3-dimethyl-5-{[(5S)-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
STL526836
SMILES O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1c(Cl)cccc1Cl
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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 C25H26Cl2N4O4 MW 517.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26Cl2N4O4/c1-28-22(33)25(23(34)29(2)24(28)35,10-17-18(26)5-3-6-19(17)27)14-30-11-15-9-16(13-30)20-7-4-8-21(32)31(20)12-15/h3-8,15-16H,9-14H2,1-2H3/t15-,16?/m0/s1InChIKey
HSWLJIAFHIOTFA-VYRBHSGPSA-NSynonyms
16397557
5((26dichlorophenyl)methyl)13dimethyl5(((9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)13diazinane246trione
5(26dichlorobenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(26dichlorobenzyl)13dimethyl5(((5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
InChI=1SC25H26Cl2N4O4c12822(33)25(23(34)29(2)24(28)35101718(26)53619(17)27)14301115916(1330)2074821(32)31(20)1215h381516H914H212H3t1516?m0s1
MFCD03006471
O=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@@H)2CC(C1)c1n(C2)c(=O)ccc1)Cc1c(Cl)cccc1Cl
ZINC000020112949
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