Vitas-M small molecule compound
(1S,5R)-3-[(2S)-2-(4-{[(1S)-2-oxocyclopentyl]methyl}phenyl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL544368
SMILES C[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)C[C@@H]1CCCC1=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 C26H30N2O3 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O3/c1-17(20-10-8-18(9-11-20)12-21-4-2-6-24(21)29)26(31)27-14-19-13-22(16-27)23-5-3-7-25(30)28(23)15-19/h3,5,7-11,17,19,21-22H,2,4,6,12-16H2,1H3/t17-,19-,21-,22+/m0/s1InChIKey
JFSPMRQRQOMWKL-XODARUQUSA-NSynonyms
(1R5S)3((S)2(4(((S)2oxocyclopentyl)methyl)phenyl)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((2S)2(4(((1S)2oxocyclopentyl)methyl)phenyl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)C(C@@H)1CCCC1=O
InChI=1SC26H30N2O3c117(2010818(91120)122142624(21)29)26(31)2714191322(1627)2353725(30)28(23)1519h3571117192122H2461216H21H3t17192122+m0s1
ZINC000225411784
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