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)-4-methylpentanoate
Catalog ID
STL542681
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)C(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 C24H30N2O6 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O6/c1-14(2)18(9-22(29)31-3)24-23(30)20(27)8-17(32-24)13-25-10-15-7-16(12-25)19-5-4-6-21(28)26(19)11-15/h4-6,8,14-16,18,30H,7,9-13H2,1-3H3/t15-,16+,18?/m0/s1InChIKey
WAWOTHXNLZPALE-SWQDIRLTSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)C(C)C
InChI=1SC24H30N2O6c114(2)18(922(29)313)2423(30)20(27)817(3224)13251015716(1225)1954621(28)26(19)1115h46814161830H7913H213H3t1516+18?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)4methylpentanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)4methylpentanoate
ZINC000225413157
ZINC000225413199
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