Vitas-M small molecule compound

5-({[4-(acetyloxy)-3-methoxyphenyl]carbonyl}amino)benzene-1,3-dicarboxylic acid

Catalog ID
STK224219
SMILES COc1cc(ccc1OC(=O)C)C(=O)Nc1cc(cc(c1)C(=O)O)C(=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 C18H15NO8 MW 373.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO8/c1-9(20)27-14-4-3-10(8-15(14)26-2)16(21)19-13-6-11(17(22)23)5-12(7-13)18(24)25/h3-8H,1-2H3,(H,19,21)(H,22,23)(H,24,25)
InChIKey
HBJJTVBAMYHOBC-UHFFFAOYSA-N
Synonyms

5(((4(acetyloxy)3methoxyphenyl)carbonyl)amino)benzene13dicarboxylicacid
5((4ACETYLOXY3METHOXYBENZOYL)AMINO)BENZENE13DICARBOXYLICACID
CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)OC
InChI=1SC18H15NO8c19(20)27144310(815(14)262)16(21)1913611(17(22)23)512(713)18(24)25h38H12H3(H1921)(H2223)(H2425)
MFCD03081967
ZINC000000692519
ZINC692519

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Available files

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