Vitas-M small molecule compound
4-[1-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-3-oxopropyl]benzoic acid
Catalog ID
STL545608
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(cc1)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 C21H16O7 MW 380.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16O7/c1-28-16(22)10-15(11-6-8-12(9-7-11)21(26)27)17-18(23)13-4-2-3-5-14(13)19(24)20(17)25/h2-9,15,25H,10H2,1H3,(H,26,27)InChIKey
ZZJHGLUCZPHJDO-UHFFFAOYSA-NSynonyms
4(1(3hydroxy14dioxo14dihydronaphthalen2yl)3methoxy3oxopropyl)benzoicacid
InChI=1SC21H16O7c12816(22)1015(116812(9711)21(26)27)1718(23)13423514(13)19(24)20(17)25h291525H10H21H3(H2627)
MFCD28348977
ZINC000217655975
ZINC000217656056
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