Vitas-M small molecule compound
methyl 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)-5-methylhexanoate
Catalog ID
STL543299
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(C)C
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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 C25H32N2O6 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O6/c1-15(2)7-17(9-23(30)32-3)25-24(31)21(28)10-19(33-25)14-26-11-16-8-18(13-26)20-5-4-6-22(29)27(20)12-16/h4-6,10,15-18,31H,7-9,11-14H2,1-3H3/t16-,17?,18+/m0/s1InChIKey
NLHOWUGICGLMIB-PXKIYYGHSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(C)C
InChI=1SC25H32N2O6c115(2)717(923(30)323)2524(31)21(28)1019(3325)14261116818(1326)2054622(29)27(20)1216h4610151831H791114H213H3t1617?18+m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)5methylhexanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)5methylhexanoate
ZINC000225419769
ZINC000225419804
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