Vitas-M small molecule compound
methyl 3-(7-chloro-1,3-benzodioxol-5-yl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL313241
SMILES COC(=O)CC(c1oc(C)cc(=O)c1O)c1cc(Cl)c2c(c1)OCO2
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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 C17H15ClO7 MW 366.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClO7/c1-8-3-12(19)15(21)16(25-8)10(6-14(20)22-2)9-4-11(18)17-13(5-9)23-7-24-17/h3-5,10,21H,6-7H2,1-2H3InChIKey
CQFQINVFTJPNSL-UHFFFAOYSA-NSynonyms
1574463-93-61574463936
CC1=CC(=O)C(=C(O1)C(CC(=O)OC)C2=CC3=C(C(=C2)Cl)OCO3)O
InChI=1SC17H15ClO7c18312(19)15(21)16(258)10(614(20)222)9411(18)1713(59)2372417h351021H67H212H3
methyl3(7chloro13benzodioxol5yl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoate
methyl3(7chloro13benzodioxol5yl)3(3hydroxy6methyl4oxopyran2yl)propanoate
methyl3(7chlorobenzo(d)(13)dioxol5yl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoate
MFCD28029995
ZINC000095475384
ZINC000095475385
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