Vitas-M small molecule compound
3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)-3-(3,4,5-trifluorophenyl)propanamide
Catalog ID
STL568629
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(F)c(c(c1)F)F
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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 C26H24F3N3O5 MW 515.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24F3N3O5/c27-18-5-14(6-19(28)24(18)29)17(8-22(30)34)26-25(36)21(33)7-16(37-26)12-31-9-13-4-15(11-31)20-2-1-3-23(35)32(20)10-13/h1-3,5-7,13,15,17,36H,4,8-12H2,(H2,30,34)/t13-,15+,17?/m1/s1InChIKey
UAKKUNKSBFIJSZ-LYFVRQJISA-NSynonyms
128963161
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(345trifluorophenyl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(345trifluorophenyl)propanamide
3(3hydroxy4oxo6(((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)methyl)pyran2yl)3(345trifluorophenyl)propanamide
InChI=1SC26H24F3N3O5c2718514(619(28)24(18)29)17(822(30)34)2625(36)21(33)716(3726)1231913415(1131)2021323(35)32(20)1013h135713151736H4812H2(H23034)t1315+17?m1s1
MFCD32653698
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(F)c(c(c1)F)F
ZINC000524734328
ZINC000524734329
Check stock
See real-time availability and sample size for STL568629 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.