Vitas-M small molecule compound
(1S,5R)-3-({2-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-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
STL541039
SMILES COc1ccc(cc1)CCN1C(=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 C25H28N4O5 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O5/c1-34-19-7-5-16(6-8-19)9-10-28-24(32)20(26-25(28)33)12-23(31)27-13-17-11-18(15-27)21-3-2-4-22(30)29(21)14-17/h2-8,17-18,20H,9-15H2,1H3,(H,26,33)/t17-,18+,20?/m0/s1InChIKey
HGWJIRWBIRIVAA-IVAAQHKWSA-NSynonyms
(1S5R)3((2hydroxy1(2(4methoxyphenyl)ethyl)5oxo45dihydro1Himidazol4yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC25H28N4O5c134197516(6819)9102824(32)20(2625(28)33)1223(31)2713171118(1527)2132422(30)29(21)1417h28171820H915H21H3(H2633)t1718+20?m0s1
ZINC000096221538
ZINC000206247700
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