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-(pyridin-2-ylmethoxy)phenyl]propanoate

Catalog ID
STL543256
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cccc(c1)OCc1ccccn1

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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 C33H33N3O7 MW 583.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O7/c1-41-31(39)15-27(22-6-4-8-25(13-22)42-20-24-7-2-3-11-34-24)33-32(40)29(37)14-26(43-33)19-35-16-21-12-23(18-35)28-9-5-10-30(38)36(28)17-21/h2-11,13-14,21,23,27,40H,12,15-20H2,1H3/t21-,23+,27?/m0/s1
InChIKey
CHKXUEIZAAMJBY-NVJHJAMWSA-N
Synonyms

COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cccc(c1)OCc1ccccn1
InChI=1SC33H33N3O7c14131(39)1527(2264825(1322)422024723113424)3332(40)29(37)1426(4333)193516211223(1835)28951030(38)36(28)1721h211131421232740H121520H21H3t2123+27?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(3(pyridin2ylmethoxy)phenyl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(3(pyridin2ylmethoxy)phenyl)propanoate
ZINC000225421634
ZINC000225421670

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Available files

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