Vitas-M small molecule compound
(1S,5R)-3-[2-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL538914
SMILES O=C(c1ccc2c(c1)N(C)C(=O)CO2)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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-23-18-8-15(5-6-20(18)29-13-22(23)28)19(26)12-24-9-14-7-16(11-24)17-3-2-4-21(27)25(17)10-14/h2-6,8,14,16H,7,9-13H2,1H3/t14-,16+/m0/s1InChIKey
NZAWQCXDHMTVRH-GOEBONIOSA-NSynonyms
(1S5R)3(2(4methyl3oxo34dihydro2H14benzoxazin6yl)2oxoethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
4methyl6(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)acetyl)2Hbenzo(b)(14)oxazin3(4H)one
InChI=1SC22H23N3O4c12318815(5620(18)291322(23)28)19(26)1224914716(1124)1732421(27)25(17)1014h2681416H7913H21H3t1416+m0s1
O=C(c1ccc2c(c1)N(C)C(=O)CO2)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000085875030
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