Vitas-M small molecule compound
5,7-dimethoxy-4-methyl-6-[(2E)-3-methyl-6-oxo-6-(thiomorpholin-4-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
Catalog ID
STL475710
SMILES COc1c(C/C=C(/CCC(=O)N2CCSCC2)\C)c(OC)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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-14(6-8-18(24)23-9-11-29-12-10-23)5-7-16-20(26-3)15(2)17-13-28-22(25)19(17)21(16)27-4/h5H,6-13H2,1-4H3/b14-5+InChIKey
MOGOLXQQKZKAGN-LHHJGKSTSA-NSynonyms
1630907-78-6(E)57dimethoxy4methyl6(3methyl6oxo6thiomorpholinohex2en1yl)isobenzofuran1(3H)one
1630907786
57dimethoxy4methyl6((2E)3methyl6oxo6(thiomorpholin4yl)hex2en1yl)2benzofuran1(3H)one
57dimethoxy4methyl6((E)3methyl6oxo6thiomorpholin4ylhex2enyl)3H2benzofuran1one
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)N3CCSCC3)OC
COc1c(CC=C(CCC(=O)N2CCSCC2)C)c(OC)c2c(c1C)COC2=O
InChI=1SC22H29NO5Sc114(6818(24)2391129121023)571620(263)15(2)17132822(25)19(17)21(16)274h5H613H214H3b145+
MFCD28349263
ZINC000217724253
ZINC217724253
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