Vitas-M small molecule compound
(1S,5S)-3-{[2-hydroxy-1-(4-methoxybenzyl)-5-oxo-4,5-dihydro-1H-imidazol-4-yl]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL542685
SMILES COc1ccc(cc1)CN1C(=NC(C1=O)CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O
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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 C24H26N4O5 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O5/c1-33-18-7-5-15(6-8-18)12-28-23(31)19(25-24(28)32)10-22(30)26-11-16-9-17(14-26)20-3-2-4-21(29)27(20)13-16/h2-8,16-17,19H,9-14H2,1H3,(H,25,32)/t16-,17+,19?/m0/s1InChIKey
APRDTNAUTAHNST-PZEDNMLSSA-NSynonyms
(1S5S)3((2hydroxy1(4methoxybenzyl)5oxo45dihydro1Himidazol4yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC24H26N4O5c133187515(6818)122823(31)19(2524(28)32)1022(30)261116917(1426)2032421(29)27(20)1316h28161719H914H21H3(H2532)t1617+19?m0s1
ZINC000096222193
ZINC000409413152
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