Vitas-M small molecule compound
(4E)-N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL520422
SMILES COc1c(C/C=C(/CCC(=O)NCCC2=CCCCC2)\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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-17(11-13-22(28)27-15-14-19-8-6-5-7-9-19)10-12-20-24(30-3)18(2)21-16-32-26(29)23(21)25(20)31-4/h8,10H,5-7,9,11-16H2,1-4H3,(H,27,28)/b17-10+InChIKey
DRFUJDSELNYWMW-LICLKQGHSA-NSynonyms
1282460-03-0(~(E))~(N)(2(cyclohexen1yl)ethyl)6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enamide
(4E)N(2(cyclohex1en1yl)ethyl)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(2(CYCLOHEX1EN1YL)ETHYL)6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDE
1282460030
52905519
COc1c(CC=C(CCC(=O)NCCC2=CCCCC2)C)c(OC)c2c(c1C)COC2=O
InChI=1SC26H35NO5c117(111322(28)271514198657919)10122024(303)18(2)21163226(29)23(21)25(20)314h810H5791116H214H3(H2728)b1710+
MFCD18791106
ZINC000062001734
ZINC62001734
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