Vitas-M small molecule compound
1-benzyl-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
STL524920
SMILES COc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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/c1-40-25-12-10-21(11-13-25)15-31(28(37)32-30(39)35(29(31)38)17-22-6-3-2-4-7-22)20-33-16-23-14-24(19-33)26-8-5-9-27(36)34(26)18-23/h2-13,23-24H,14-20H2,1H3,(H,32,37,39)/t23-,24+,31?/m0/s1InChIKey
HUTKOILPIRFWEJ-LXDWCAIISA-NSynonyms
1benzyl5(4methoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
1benzyl5(4methoxybenzyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
COc1ccc(cc1)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
InChI=1SC31H32N4O5c14025121021(111325)1531(28(37)3230(39)35(29(31)38)17226324722)203316231424(1933)2685927(36)34(26)1823h2132324H1420H21H3(H323739)t2324+31?m0s1
MFCD01550031
ZINC000070669831
ZINC000070669832
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