Vitas-M small molecule compound

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-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl}propanamide

Catalog ID
STL579199
SMILES COc1ccc(cc1)CCOc1ccc(cc1OC)C(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N

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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 C36H39N3O8 MW 641.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H39N3O8/c1-44-26-9-6-22(7-10-26)12-13-46-31-11-8-24(15-32(31)45-2)28(17-33(37)41)36-35(43)30(40)16-27(47-36)21-38-18-23-14-25(20-38)29-4-3-5-34(42)39(29)19-23/h3-11,15-16,23,25,28,43H,12-14,17-21H2,1-2H3,(H2,37,41)/t23-,25+,28?/m1/s1
InChIKey
FJDQHIZURKYUKL-WBUDJUEKSA-N
Synonyms

3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(3methoxy4(4methoxyphenethoxy)phenyl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(3methoxy4(2(4methoxyphenyl)ethoxy)phenyl)propanamide
COc1ccc(cc1)CCOc1ccc(cc1OC)C(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N

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Available files

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