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-(3,4,5-trimethoxyphenyl)propanoate
Catalog ID
STL543788
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(OC)c(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 C30H34N2O9 MW 566.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O9/c1-37-24-9-18(10-25(38-2)30(24)40-4)21(12-27(35)39-3)29-28(36)23(33)11-20(41-29)16-31-13-17-8-19(15-31)22-6-5-7-26(34)32(22)14-17/h5-7,9-11,17,19,21,36H,8,12-16H2,1-4H3/t17-,19+,21?/m0/s1InChIKey
QBIROGRCIAFLGI-FOHCZPNYSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(OC)c(c(c1)OC)OC
InChI=1SC30H34N2O9c13724918(1025(382)30(24)404)21(1227(35)393)2928(36)23(33)1120(4129)16311317819(1531)2265726(34)32(22)1417h5791117192136H81216H214H3t1719+21?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(345trimethoxyphenyl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(345trimethoxyphenyl)propanoate
ZINC000225423840
ZINC000225423866
Check stock
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Check stock on Vitas-MAvailable files
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