Vitas-M small molecule compound

(4E)-N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide

Catalog ID
STL471057
SMILES COc1c(C/C=C(/CCC(=O)NCCC2=CCCCC2)\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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-16(10-12-21(27)26-14-13-18-7-5-4-6-8-18)9-11-19-23(28)22-20(15-31-25(22)29)17(2)24(19)30-3/h7,9,28H,4-6,8,10-15H2,1-3H3,(H,26,27)/b16-9+
InChIKey
XHJKFNVRLNOUPN-CXUHLZMHSA-N
Synonyms
1282457-64-0
(4E)N(2(cyclohex1en1yl)ethyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(2(cyclohex1en1yl)ethyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
(E)N(2(cyclohexen1yl)ethyl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
1282457640
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCCC3=CCCCC3)OC
COc1c(CC=C(CCC(=O)NCCC2=CCCCC2)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H33NO5c116(101221(27)261413187546818)9111923(28)2220(153125(22)29)17(2)24(19)303h7928H4681015H213H3(H2627)b169+
MFCD18790985
ZINC000062001585
ZINC62001585

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Available files

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