Vitas-M small molecule compound
1-(4-ethoxyphenyl)-5-(4-methylbenzyl)-5-{[(1R)-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
STL526038
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1CC2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)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 C32H34N4O5 MW 554.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O5/c1-3-41-26-13-11-25(12-14-26)36-30(39)32(29(38)33-31(36)40,16-22-9-7-21(2)8-10-22)20-34-17-23-15-24(19-34)27-5-4-6-28(37)35(27)18-23/h4-14,23-24H,3,15-20H2,1-2H3,(H,33,38,40)/t23?,24-,32?/m1/s1InChIKey
STOQBZCABIRZJT-HMKMLLBWSA-NSynonyms
956826-02-11(4ethoxyphenyl)5((4methylphenyl)methyl)5(((1~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)13diazinane246trione
1(4ethoxyphenyl)5(4methylbenzyl)5(((1R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
1(4ethoxyphenyl)5(4methylbenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
16397112
956826021
CCOc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)C
InChI=1SC32H34N4O5c134126131125(121426)3630(39)32(29(38)3331(36)4016229721(2)81022)203417231524(1934)2754628(37)35(27)1823h4142324H31520H212H3(H333840)t23?2432?m1s1
MFCD02185704
ZINC000002126515
ZINC000100745345
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.