Vitas-M small molecule compound
(1S,5R)-3-{4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL545475
SMILES Cc1nc(NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)nc(c1)C
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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 C21H27N5O2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2/c1-14-9-15(2)24-21(23-14)22-8-4-7-19(27)25-11-16-10-17(13-25)18-5-3-6-20(28)26(18)12-16/h3,5-6,9,16-17H,4,7-8,10-13H2,1-2H3,(H,22,23,24)/t16-,17+/m0/s1InChIKey
ZOFMXJWBMNGIHG-DLBZAZTESA-NSynonyms
(1R5S)3(4((46dimethylpyrimidin2yl)amino)butanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(4((46dimethylpyrimidin2yl)amino)butanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Cc1nc(NCCCC(=O)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)nc(c1)C
InChI=1SC21H27N5O2c114915(2)2421(2314)2284719(27)2511161017(1325)1853620(28)26(18)1216h35691617H4781013H212H3(H222324)t1617+m0s1
ZINC000225410723
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