Vitas-M small molecule compound
(4E)-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL542045
SMILES COc1c(C/C=C(/CCC(=O)NCC2CC3CC2C=C3)\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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-15(6-10-22(28)27-13-19-12-17-7-8-18(19)11-17)5-9-20-24(30-3)16(2)21-14-32-26(29)23(21)25(20)31-4/h5,7-8,17-19H,6,9-14H2,1-4H3,(H,27,28)/b15-5+InChIKey
ODOWIDUJGXNPKY-PJQLUOCWSA-NSynonyms
(~(E))~(N)(2bicyclo(221)hept5enylmethyl)6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enamide
(4E)N(bicyclo(221)hept5en2ylmethyl)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N((1S4S)BICYCLO(221)HEPT5EN2YLMETHYL)6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDE
91637516
COc1c(CC=C(CCC(=O)NCC2CC3CC2C=C3)C)c(OC)c2c(c1C)COC2=O
InChI=1SC26H33NO5c115(61022(28)27131912177818(19)1117)592024(303)16(2)21143226(29)23(21)25(20)314h5781719H6914H214H3(H2728)b155+
MFCD28349412
ZINC000225413201
ZINC000225413241
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