Vitas-M small molecule compound
methyl 3-(3,4-dimethoxyphenyl)-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
STL544701
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)OC)OC
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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 C29H32N2O8 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O8/c1-36-24-8-7-18(10-25(24)37-2)21(12-27(34)38-3)29-28(35)23(32)11-20(39-29)16-30-13-17-9-19(15-30)22-5-4-6-26(33)31(22)14-17/h4-8,10-11,17,19,21,35H,9,12-16H2,1-3H3/t17-,19+,21?/m0/s1InChIKey
DVHIIHAHNYDIGX-FOHCZPNYSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)OC)OC
InChI=1SC29H32N2O8c136248718(1025(24)372)21(1227(34)383)2928(35)23(32)1120(3929)16301317919(1530)2254626(33)31(22)1417h48101117192135H91216H213H3t1719+21?m0s1
methyl3(34dimethoxyphenyl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanoate
methyl3(34dimethoxyphenyl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanoate
ZINC000225415427
ZINC000225415471
Check stock
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Check stock on Vitas-MAvailable files
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