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-phenylpropanoate
Catalog ID
STL544112
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccccc1
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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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-34-25(32)12-21(18-6-3-2-4-7-18)27-26(33)23(30)11-20(35-27)16-28-13-17-10-19(15-28)22-8-5-9-24(31)29(22)14-17/h2-9,11,17,19,21,33H,10,12-16H2,1H3/t17-,19+,21?/m0/s1InChIKey
AVQVHWUIBNOFEC-FOHCZPNYSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccccc1
InChI=1SC27H28N2O6c13425(32)1221(186324718)2726(33)23(30)1120(3527)162813171019(1528)2285924(31)29(22)1417h291117192133H101216H21H3t1719+21?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3phenylpropanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3phenylpropanoate
ZINC000225414930
ZINC000225414968
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