Vitas-M small molecule compound
(1R,5S)-3-[(1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL537310
SMILES COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C1CC1
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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 C25H23F2N3O4 MW 467.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F2N3O4/c1-34-24-21(27)18(26)8-16-22(24)29(15-5-6-15)12-17(23(16)32)25(33)28-9-13-7-14(11-28)19-3-2-4-20(31)30(19)10-13/h2-4,8,12-15H,5-7,9-11H2,1H3/t13-,14+/m0/s1InChIKey
GUOOZKMOKOMTOP-UONOGXRCSA-NSynonyms
(1R5S)3((1cyclopropyl67difluoro8methoxy4oxo14dihydroquinolin3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(1cyclopropyl67difluoro8methoxy4oxo14dihydroquinoline3carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C1CC1
InChI=1SC25H23F2N3O4c1342421(27)18(26)81622(24)29(155615)1217(23(16)32)25(33)28913714(1128)1932420(31)30(19)1013h2481215H57911H21H3t1314+m0s1
MFCD08743216
ZINC000100788619
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