Vitas-M small molecule compound
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[2-(phenylsulfanyl)ethyl]hex-4-enamide
Catalog ID
STL522276
SMILES COc1c(C/C=C(/CCC(=O)NCCSc2ccccc2)\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 C25H29NO5S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S/c1-16(10-12-21(27)26-13-14-32-18-7-5-4-6-8-18)9-11-19-23(28)22-20(15-31-25(22)29)17(2)24(19)30-3/h4-9,28H,10-15H2,1-3H3,(H,26,27)/b16-9+InChIKey
OGIBNGPXKQGOKR-CXUHLZMHSA-NSynonyms
1630907-49-1(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(2phenylsulfanylethyl)hex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(2(phenylsulfanyl)ethyl)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(2(PHENYLTHIO)ETHYL)HEX4ENAMIDE
1630907491
91638365
COc1c(CC=C(CCC(=O)NCCSc2ccccc2)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H29NO5Sc116(101221(27)26131432187546818)9111923(28)2220(153125(22)29)17(2)24(19)303h4928H1015H213H3(H2627)b169+
MFCD28349963
ZINC000217885728
ZINC217885728
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