Vitas-M small molecule compound
3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-4,5-dihydro-1H-imidazol-4-yl}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide
Catalog ID
STL543960
SMILES COc1ccc(cc1)CCN1C(=NC(C1=O)CCC(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2)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 C25H36N4O4 MW 456.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N4O4/c1-33-20-9-7-18(8-10-20)13-16-29-24(31)21(27-25(29)32)11-12-23(30)26-17-19-5-4-15-28-14-3-2-6-22(19)28/h7-10,19,21-22H,2-6,11-17H2,1H3,(H,26,30)(H,27,32)/t19-,21?,22+/m0/s1InChIKey
BTHXAPUXVRAWKI-KFEBLCFASA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)3(1(2(4methoxyphenyl)ethyl)25dioxoimidazolidin4yl)propanamide
132285310
3(2hydroxy1(2(4methoxyphenyl)ethyl)5oxo45dihydro1Himidazol4yl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)propanamide
InChI=1SC25H36N4O4c133209718(81020)13162924(31)21(2725(29)32)111223(30)2617195415281432622(19)28h710192122H261117H21H3(H2630)(H2732)t1921?22+m0s1
ZINC000096221770
ZINC000334159471
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