Vitas-M small molecule compound
(4E)-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL541051
SMILES COc1c(C/C=C(/CCC(=O)NCC2CC3CC2C=C3)\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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-14(5-9-21(27)26-12-18-11-16-6-7-17(18)10-16)4-8-19-23(28)22-20(13-31-25(22)29)15(2)24(19)30-3/h4,6-7,16-18,28H,5,8-13H2,1-3H3,(H,26,27)/b14-4+InChIKey
WWRIQEBNPBEGOP-LNKIKWGQSA-NSynonyms
(~(E))~(N)(2bicyclo(221)hept5enylmethyl)6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enamide
(4E)N(bicyclo(221)hept5en2ylmethyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N((1S4S)BICYCLO(221)HEPT5EN2YLMETHYL)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDE
91636906
COc1c(CC=C(CCC(=O)NCC2CC3CC2C=C3)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H31NO5c114(5921(27)26121811166717(18)1016)481923(28)2220(133125(22)29)15(2)24(19)303h467161828H5813H213H3(H2627)b144+
MFCD28349008
ZINC000225408552
ZINC000225408600
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