Vitas-M small molecule compound

4,4'-{methanediylbis[(2-hydroxybenzene-4,1-diyl)imino]}bis(4-oxobutanoic acid)

Catalog ID
STK295764
SMILES O=C(Nc1ccc(cc1O)Cc1ccc(c(c1)O)NC(=O)CCC(=O)O)CCC(=O)O

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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 C21H22N2O8 MW 430.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O8/c24-16-10-12(1-3-14(16)22-18(26)5-7-20(28)29)9-13-2-4-15(17(25)11-13)23-19(27)6-8-21(30)31/h1-4,10-11,24-25H,5-9H2,(H,22,26)(H,23,27)(H,28,29)(H,30,31)
InChIKey
GBSPAAIKAICREH-UHFFFAOYSA-N
Synonyms

3(N(4((4(3CARBOXYPROPANOYLAMINO)3HYDROXYPHENYL)METHYL)2HYDROXYPHENYL)CARBAMOYL)PROPANOICACID
4(2HYDROXY4((3HYDROXY4((4HYDROXY4OXOBUTANOYL)AMINO)PHENYL)METHYL)ANILINO)4OXOBUTANOICACID
4(4((4(3carboxypropanoylamino)3hydroxyphenyl)methyl)2hydroxyanilino)4oxobutanoicacid
44(methanediylbis((2hydroxybenzene41diyl)imino))bis(4oxobutanoicacid)
44(METHYLENEBIS((2HYDROXY41PHENYLENE)IMINO))BIS(4OXOBUTANOICACID)
C1=CC(=C(C=C1CC2=CC(=C(C=C2)NC(=O)CCC(=O)O)O)O)NC(=O)CCC(=O)O
InChI=1SC21H22N2O8c24161012(1314(16)2218(26)5720(28)29)9132415(17(25)1113)2319(27)6821(30)31h1410112425H59H2(H2226)(H2327)(H2829)(H3031)
MFCD01006436
ZINC000002934761
ZINC2934761

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.