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-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate
Catalog ID
STL544477
SMILES COC(=O)CC(c1coc2c(c1=O)cc(cc2)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 C31H30N2O9 MW 574.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O9/c1-39-19-6-7-26-22(9-19)29(37)23(16-41-26)21(11-28(36)40-2)31-30(38)25(34)10-20(42-31)15-32-12-17-8-18(14-32)24-4-3-5-27(35)33(24)13-17/h3-7,9-10,16-18,21,38H,8,11-15H2,1-2H3/t17-,18+,21?/m0/s1InChIKey
CGKBWSRNYLRRNW-GARIHTGFSA-NSynonyms
COC(=O)CC(c1coc2c(c1=O)cc(cc2)OC)c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
InChI=1SC31H30N2O9c13919672622(919)29(37)23(164126)21(1128(36)402)3130(38)25(34)1020(4231)15321217818(1432)2443527(35)33(24)1317h3791016182138H81115H212H3t1718+21?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(6methoxy4oxo4Hchromen3yl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(6methoxy4oxo4Hchromen3yl)propanoate
ZINC000253398683
ZINC000253398691
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