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-(7-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)propanoate

Catalog ID
STL545420
SMILES COC(=O)CC(c1cc2ccc(cc2n(c1=O)C)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 C32H33N3O8 MW 587.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O8/c1-33-26-11-21(41-2)8-7-19(26)10-24(32(33)40)23(13-29(38)42-3)31-30(39)27(36)12-22(43-31)17-34-14-18-9-20(16-34)25-5-4-6-28(37)35(25)15-18/h4-8,10-12,18,20,23,39H,9,13-17H2,1-3H3/t18-,20+,23?/m0/s1
InChIKey
XTAPIMZOTHVEDU-CDOORCJHSA-N
Synonyms

COC(=O)CC(c1cc2ccc(cc2n(c1=O)C)OC)c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
InChI=1SC32H33N3O8c133261121(412)8719(26)1024(32(33)40)23(1329(38)423)3130(39)27(36)1222(4331)17341418920(1634)2554628(37)35(25)1518h48101218202339H91317H213H3t1820+23?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(7methoxy1methyl2oxo12dihydroquinolin3yl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(7methoxy1methyl2oxo12dihydroquinolin3yl)propanoate
ZINC000225426837
ZINC000225426876

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Available files

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