Vitas-M small molecule compound
(1S,5R)-3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL538971
SMILES COc1ccc(cc1)c1noc(n1)CN1C[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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-27-17-7-5-15(6-8-17)21-22-19(28-23-21)13-24-10-14-9-16(12-24)18-3-2-4-20(26)25(18)11-14/h2-8,14,16H,9-13H2,1H3/t14-,16+/m0/s1InChIKey
SRWKKHYVCDLJAR-GOEBONIOSA-NSynonyms
(1R5S)3((3(4methoxyphenyl)124oxadiazol5yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((3(4methoxyphenyl)124oxadiazol5yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1)c1noc(n1)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H22N4O3c127177515(6817)212219(282321)13241014916(1224)1832420(26)25(18)1114h281416H913H21H3t1416+m0s1
ZINC000085875921
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