Vitas-M small molecule compound
8-({[(1S)-1-carboxy-2-methylbutyl]ammonio}methyl)-4-oxo-3-phenoxy-4H-chromen-7-olate
Catalog ID
STL531474
SMILES CCC([C@@H](C(=O)O)[NH2+]Cc1c([O-])ccc2c1occ(c2=O)Oc1ccccc1)C
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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 C22H23NO6 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO6/c1-3-13(2)19(22(26)27)23-11-16-17(24)10-9-15-20(25)18(12-28-21(15)16)29-14-7-5-4-6-8-14/h4-10,12-13,19,23-24H,3,11H2,1-2H3,(H,26,27)/t13?,19-/m0/s1InChIKey
IJAAWTXJFCQYFT-YFKXAPIDSA-NSynonyms
44663773
8((((1~(S))1carboxy2methylbutyl)azaniumyl)methyl)4oxo3phenoxychromen7olate
8((((1S)1carboxy2methylbutyl)ammonio)methyl)4oxo3phenoxy4Hchromen7olate
InChI=1SC22H23NO6c1313(2)19(22(26)27)23111617(24)1091520(25)18(122821(15)16)29147546814h4101213192324H311H212H3(H2627)t13?19m0s1
ZINC000005467880
ZINC000005468735
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