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-(2,4,5-trimethoxyphenyl)propanoate
Catalog ID
STL545602
SMILES COC(=O)CC(c1cc(OC)c(cc1OC)OC)c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
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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/c1-37-24-12-26(39-3)25(38-2)10-20(24)21(11-28(35)40-4)30-29(36)23(33)9-19(41-30)16-31-13-17-8-18(15-31)22-6-5-7-27(34)32(22)14-17/h5-7,9-10,12,17-18,21,36H,8,11,13-16H2,1-4H3/t17-,18+,21?/m0/s1InChIKey
STWONHBMCAIVMR-GARIHTGFSA-NSynonyms
COC(=O)CC(c1cc(OC)c(cc1OC)OC)c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
InChI=1SC30H34N2O9c137241226(393)25(382)1020(24)21(1128(35)404)3029(36)23(33)919(4130)16311317818(1531)2265727(34)32(22)1417h579101217182136H8111316H214H3t1718+21?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(245trimethoxyphenyl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(245trimethoxyphenyl)propanoate
ZINC000225415776
ZINC000225415807
Check stock
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Check stock on Vitas-MAvailable files
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