Vitas-M small molecule compound
(1S,5R)-3-[(5-hydroxy-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL543643
SMILES Oc1c(=O)cc(oc1CN1CCN(CC1)S(=O)(=O)C)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 C23H30N4O6S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O6S/c1-34(31,32)26-7-5-24(6-8-26)15-21-23(30)20(28)10-18(33-21)14-25-11-16-9-17(13-25)19-3-2-4-22(29)27(19)12-16/h2-4,10,16-17,30H,5-9,11-15H2,1H3/t16-,17+/m0/s1InChIKey
VVVUKADZSPGRCR-DLBZAZTESA-NSynonyms
(1R5S)3((5hydroxy6((4(methylsulfonyl)piperazin1yl)methyl)4oxo4Hpyran2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5hydroxy6((4(methylsulfonyl)piperazin1yl)methyl)4oxo4Hpyran2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC23H30N4O6Sc134(3132)267524(6826)152123(30)20(28)1018(3321)14251116917(1325)1932422(29)27(19)1216h2410161730H591115H21H3t1617+m0s1
Oc1c(=O)cc(oc1CN1CCN(CC1)S(=O)(=O)C)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000253413851
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