Vitas-M small molecule compound
4-(7-{[(2R)-2-amino-3-phenylpropanoyl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl)phenyl (2R)-2-amino-3-phenylpropanoate (non-preferred name)
Catalog ID
STL565087
SMILES N[C@@H](C(=O)Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)OC(=O)[C@@H](Cc1ccccc1)N)Cc1ccccc1
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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 C33H28N2O7 MW 564.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O7/c34-26(15-20-7-3-1-4-8-20)32(38)41-23-13-11-22(12-14-23)25-19-40-29-18-24(17-28(36)30(29)31(25)37)42-33(39)27(35)16-21-9-5-2-6-10-21/h1-14,17-19,26-27,36H,15-16,34-35H2/t26-,27-/m1/s1InChIKey
RXLFEWISUXVFFT-KAYWLYCHSA-NSynonyms
(4(7((2R)2amino3phenylpropanoyl)oxy5hydroxy4oxochromen3yl)phenyl)(2R)2amino3phenylpropanoate
4(7(((2R)2amino3phenylpropanoyl)oxy)5hydroxy4oxo4Hchromen3yl)phenyl(2R)2amino3phenylpropanoate(nonpreferredname)
4(7((2amino3phenylpropanoyl)oxy)5hydroxy4oxo4Hchromen3yl)phenyl2amino2methyl3phenylpropanoatedihydrochloride
5551095
InChI=1SC33H28N2O7c3426(15207314820)32(38)4123131122(121423)251940291824(1728(36)30(29)31(25)37)4233(39)27(35)162195261021h1141719262736H15163435H2t2627m1s1
MFCD32651440
O=C(C(Cc1ccccc1)N)Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)OC(=O)C(Cc1ccccc1)(N)CClCl
ZINC000053319129
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