Vitas-M small molecule compound
5-(4-ethoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL524848
SMILES CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
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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 C31H32N4O5 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O5/c1-2-40-25-13-11-21(12-14-25)16-31(28(37)32-30(39)35(29(31)38)24-7-4-3-5-8-24)20-33-17-22-15-23(19-33)26-9-6-10-27(36)34(26)18-22/h3-14,22-23H,2,15-20H2,1H3,(H,32,37,39)/t22-,23+,31?/m0/s1InChIKey
HHGLGWBDWWOZDR-ALGPGZRESA-NSynonyms
5(4ethoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
5(4ethoxybenzyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
CCOc1ccc(cc1)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
InChI=1SC31H32N4O5c124025131121(121425)1631(28(37)3230(39)35(29(31)38)247435824)203317221523(1933)26961027(36)34(26)1822h3142223H21520H21H3(H323739)t2223+31?m0s1
MFCD01548555
ZINC000070669794
ZINC000070669795
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