Vitas-M small molecule compound
7-hydroxy-5-methoxy-4-methyl-6-[(2E)-3-methyl-6-(morpholin-4-yl)-6-oxohex-2-en-1-yl]-2-benzofuran-1(3H)-one
Catalog ID
STL471199
SMILES COc1c(C/C=C(/CCC(=O)N2CCOCC2)\C)c(O)c2c(c1C)COC2=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 C21H27NO6 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO6/c1-13(5-7-17(23)22-8-10-27-11-9-22)4-6-15-19(24)18-16(12-28-21(18)25)14(2)20(15)26-3/h4,24H,5-12H2,1-3H3/b13-4+InChIKey
XRBCEKJGFJYNJE-YIXHJXPBSA-NSynonyms
1282457-38-8(E)7hydroxy5methoxy4methyl6(3methyl6morpholino6oxohex2en1yl)isobenzofuran1(3H)one
1282457388
7hydroxy5methoxy4methyl6((2E)3methyl6(morpholin4yl)6oxohex2en1yl)2benzofuran1(3H)one
7hydroxy5methoxy4methyl6((E)3methyl6morpholin4yl6oxohex2enyl)3H2benzofuran1one
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)N3CCOCC3)OC
COc1c(CC=C(CCC(=O)N2CCOCC2)C)c(O)c2c(c1C)COC2=O
InChI=1SC21H27NO6c113(5717(23)228102711922)461519(24)1816(122821(18)25)14(2)20(15)263h424H512H213H3b134+
MFCD18791070
ZINC000062001697
ZINC62001697
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