Vitas-M small molecule compound
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-[4-(methylsulfanyl)phenyl]propanoate
Catalog ID
STL544517
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(cc1)SC
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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 C21H18O5S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O5S/c1-26-17(22)11-16(12-7-9-13(27-2)10-8-12)18-19(23)14-5-3-4-6-15(14)20(24)21(18)25/h3-10,16,25H,11H2,1-2H3InChIKey
FMQBOXWZNKMYGD-UHFFFAOYSA-NSynonyms
InChI=1SC21H18O5Sc12617(22)1116(127913(272)10812)1819(23)14534615(14)20(24)21(18)25h3101625H11H212H3
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(4(methylsulfanyl)phenyl)propanoate
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(4(methylthio)phenyl)propanoate
MFCD28350073
ZINC000217910405
ZINC000217910431
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