Vitas-M small molecule compound
methyl 3-(3-chloro-4-fluorophenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL315232
SMILES COC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)Cl)F
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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 C16H14ClFO5 MW 340.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClFO5/c1-8-5-13(19)15(21)16(23-8)10(7-14(20)22-2)9-3-4-12(18)11(17)6-9/h3-6,10,21H,7H2,1-2H3InChIKey
KJXRTCRTGLUWGD-UHFFFAOYSA-NSynonyms
1574494-88-41574494884
CC1=CC(=O)C(=C(O1)C(CC(=O)OC)C2=CC(=C(C=C2)F)Cl)O
InChI=1SC16H14ClFO5c18513(19)15(21)16(238)10(714(20)222)93412(18)11(17)69h361021H7H212H3
methyl3(3chloro4fluorophenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoate
methyl3(3chloro4fluorophenyl)3(3hydroxy6methyl4oxopyran2yl)propanoate
MFCD28027131
ZINC000095476912
ZINC000095476913
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