Vitas-M small molecule compound
methyl 3-(7-chloro-1,3-benzodioxol-5-yl)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL425156
SMILES COC(=O)CC(c1oc(CN2CCOCC2)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 C21H22ClNO8 MW 451.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO8/c1-27-18(25)9-14(12-6-15(22)21-17(7-12)29-11-30-21)20-19(26)16(24)8-13(31-20)10-23-2-4-28-5-3-23/h6-8,14,26H,2-5,9-11H2,1H3InChIKey
XUCNTVALJVCISL-UHFFFAOYSA-NSynonyms
1630836-53-11630836531
COC(=O)CC(C1=CC2=C(C(=C1)Cl)OCO2)C3=C(C(=O)C=C(O3)CN4CCOCC4)O
InChI=1SC21H22ClNO8c12718(25)914(12615(22)2117(712)29113021)2019(26)16(24)813(3120)102324285323h681426H25911H21H3
methyl3(7chloro13benzodioxol5yl)3(3hydroxy6(morpholin4ylmethyl)4oxo4Hpyran2yl)propanoate
methyl3(7chloro13benzodioxol5yl)3(3hydroxy6(morpholin4ylmethyl)4oxopyran2yl)propanoate
methyl3(7chlorobenzo(d)(13)dioxol5yl)3(3hydroxy6(morpholinomethyl)4oxo4Hpyran2yl)propanoate
MFCD28368478
ZINC000218429407
ZINC000218429488
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