Vitas-M small molecule compound
5-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)-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
STL525523
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2
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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 C32H32N4O6 MW 568.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O6/c1-2-20-6-9-24(10-7-20)36-30(39)32(29(38)33-31(36)40,14-21-8-11-26-27(13-21)42-19-41-26)18-34-15-22-12-23(17-34)25-4-3-5-28(37)35(25)16-22/h3-11,13,22-23H,2,12,14-19H2,1H3,(H,33,38,40)/t22-,23+,32?/m0/s1InChIKey
HILTXDFKPYQKMP-ODFFKVLCSA-NSynonyms
5(13benzodioxol5ylmethyl)1(4ethylphenyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
5(benzo(d)(13)dioxol5ylmethyl)1(4ethylphenyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2
InChI=1SC32H32N4O6c12206924(10720)3630(39)32(29(38)3331(36)4014218112627(1321)42194126)183415221223(1734)2543528(37)35(25)1622h311132223H2121419H21H3(H333840)t2223+32?m0s1
MFCD01548317
ZINC000070669776
ZINC000070669777
Check stock
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Check stock on Vitas-MAvailable files
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