Vitas-M small molecule compound
methyl 3-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl}-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)propanoate
Catalog ID
STL543570
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)OC)OCCc1ccc2c(c1)CCO2
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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 C38H40N2O9 MW 668.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40N2O9/c1-45-34-16-25(7-9-33(34)48-12-10-23-6-8-32-26(14-23)11-13-47-32)29(18-36(43)46-2)38-37(44)31(41)17-28(49-38)22-39-19-24-15-27(21-39)30-4-3-5-35(42)40(30)20-24/h3-9,14,16-17,24,27,29,44H,10-13,15,18-22H2,1-2H3/t24-,27+,29?/m0/s1InChIKey
CKFKUEGGLHYYPL-ICFIQPFJSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)OC)OCCc1ccc2c(c1)CCO2
InChI=1SC38H40N2O9c145341625(7933(34)48121023683226(1423)11134732)29(1836(43)462)3837(44)31(41)1728(4938)223919241527(2139)3043535(42)40(30)2024h3914161724272944H1013151822H212H3t2427+29?m0s1
methyl3(4(2(23dihydro1benzofuran5yl)ethoxy)3methoxyphenyl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanoate
methyl3(4(2(23dihydrobenzofuran5yl)ethoxy)3methoxyphenyl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanoate
ZINC000253398913
ZINC000253398914
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.