Vitas-M small molecule compound
(1S,5R)-3-[(2,3-dimethylquinoxalin-6-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL544979
SMILES O=C(c1ccc2c(c1)nc(c(n2)C)C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C22H22N4O2 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2/c1-13-14(2)24-19-9-16(6-7-18(19)23-13)22(28)25-10-15-8-17(12-25)20-4-3-5-21(27)26(20)11-15/h3-7,9,15,17H,8,10-12H2,1-2H3/t15-,17+/m0/s1InChIKey
BHWSJCLIPNRIHH-DOTOQJQBSA-NSynonyms
(1R5S)3(23dimethylquinoxaline6carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((23dimethylquinoxalin6yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC22H22N4O2c11314(2)2419916(6718(19)2313)22(28)251015817(1225)2043521(27)26(20)1115h3791517H81012H212H3t1517+m0s1
O=C(c1ccc2c(c1)nc(c(n2)C)C)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000225426020
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