Vitas-M small molecule compound
(1S,5R)-3-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL538958
SMILES O=c1cc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)nc2n1cccc2
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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 C20H20N4O2 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2/c25-19-6-3-4-17-15-8-14(11-24(17)19)10-22(12-15)13-16-9-20(26)23-7-2-1-5-18(23)21-16/h1-7,9,14-15H,8,10-13H2/t14-,15+/m0/s1InChIKey
FOTVPNZLEBNJSY-LSDHHAIUSA-NSynonyms
(1R5S)3((4oxo4Hpyrido(12a)pyrimidin2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((4oxo4Hpyrido(12a)pyrimidin2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC20H20N4O2c25196341715814(1124(17)19)1022(1215)1316920(26)23721518(23)2116h1791415H81013H2t1415+m0s1
O=c1cc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)nc2n1cccc2
ZINC000085876535
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