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-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate
Catalog ID
STL544833
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)OC)OCC(=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 C32H36N2O8 MW 576.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O8/c1-19(2)18-41-27-9-8-21(11-28(27)39-3)24(13-30(37)40-4)32-31(38)26(35)12-23(42-32)17-33-14-20-10-22(16-33)25-6-5-7-29(36)34(25)15-20/h5-9,11-12,20,22,24,38H,1,10,13-18H2,2-4H3/t20-,22+,24?/m0/s1InChIKey
LDRSVNSRTYDXFS-GWKQTIPISA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)OC)OCC(=C)C
InChI=1SC32H36N2O8c119(2)1841279821(1128(27)393)24(1330(37)404)3231(38)26(35)1223(4232)173314201022(1633)2565729(36)34(25)1520h59111220222438H1101318H224H3t2022+24?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(3methoxy4((2methylallyl)oxy)phenyl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(3methoxy4((2methylprop2en1yl)oxy)phenyl)propanoate
ZINC000225417932
ZINC000225417972
Check stock
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Check stock on Vitas-MAvailable files
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