Vitas-M small molecule compound

methyl 3-(3-chloro-4-hydroxyphenyl)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxo-4H-pyran-2-yl]propanoate

Catalog ID
STL421941
SMILES COC(=O)CC(c1oc(CN2CCOCC2)cc(=O)c1O)c1ccc(c(c1)Cl)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 C20H22ClNO7 MW 423.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO7/c1-27-18(25)10-14(12-2-3-16(23)15(21)8-12)20-19(26)17(24)9-13(29-20)11-22-4-6-28-7-5-22/h2-3,8-9,14,23,26H,4-7,10-11H2,1H3
InChIKey
DIEJLDSAAMTPEE-UHFFFAOYSA-N
Synonyms
1630827-83-6
1630827836
COC(=O)CC(C1=CC(=C(C=C1)O)Cl)C2=C(C(=O)C=C(O2)CN3CCOCC3)O
InChI=1SC20H22ClNO7c12718(25)1014(122316(23)15(21)812)2019(26)17(24)913(2920)112246287522h2389142326H471011H21H3
methyl3(3chloro4hydroxyphenyl)3(3hydroxy6(morpholin4ylmethyl)4oxo4Hpyran2yl)propanoate
methyl3(3chloro4hydroxyphenyl)3(3hydroxy6(morpholin4ylmethyl)4oxopyran2yl)propanoate
methyl3(3chloro4hydroxyphenyl)3(3hydroxy6(morpholinomethyl)4oxo4Hpyran2yl)propanoate
MFCD28367760
ZINC000218305281
ZINC000218305340

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Available files

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