Vitas-M small molecule compound
7-hydroxy-5-methoxy-4-methyl-6-[(2E)-3-methyl-6-oxo-6-(thiomorpholin-4-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
Catalog ID
STL522311
SMILES COc1c(C/C=C(/CCC(=O)N2CCSCC2)\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 C21H27NO5S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5S/c1-13(5-7-17(23)22-8-10-28-11-9-22)4-6-15-19(24)18-16(12-27-21(18)25)14(2)20(15)26-3/h4,24H,5-12H2,1-3H3/b13-4+InChIKey
BGUNMKPDFXIUIQ-YIXHJXPBSA-NSynonyms
1630907-57-1(E)7HYDROXY5METHOXY4METHYL6(3METHYL6OXO6THIOMORPHOLINOHEX2EN1YL)ISOBENZOFURAN1(3H)ONE
1630907571
7hydroxy5methoxy4methyl6((~(E))3methyl6oxo6thiomorpholin4ylhex2enyl)3~(H)2benzofuran1one
7hydroxy5methoxy4methyl6((2E)3methyl6oxo6(thiomorpholin4yl)hex2en1yl)2benzofuran1(3H)one
91638426
COc1c(CC=C(CCC(=O)N2CCSCC2)C)c(O)c2c(c1C)COC2=O
InChI=1SC21H27NO5Sc113(5717(23)228102811922)461519(24)1816(122721(18)25)14(2)20(15)263h424H512H213H3b134+
MFCD28350005
ZINC000217894879
ZINC217894879
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