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)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL543600
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(OC)c2c(c1)OCO2
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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 C29H30N2O9 MW 550.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O9/c1-36-23-7-17(8-24-29(23)39-15-38-24)20(10-26(34)37-2)28-27(35)22(32)9-19(40-28)14-30-11-16-6-18(13-30)21-4-3-5-25(33)31(21)12-16/h3-5,7-9,16,18,20,35H,6,10-15H2,1-2H3/t16-,18+,20?/m0/s1InChIKey
NQOPXAFKSVKFNL-HYJPWMOMSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(OC)c2c(c1)OCO2
InChI=1SC29H30N2O9c13623717(82429(23)39153824)20(1026(34)372)2827(35)22(32)919(4028)14301116618(1330)2143525(33)31(21)1216h357916182035H61015H212H3t1618+20?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(7methoxybenzo(d)(13)dioxol5yl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
ZINC000225426509
ZINC000225426545
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