Vitas-M small molecule compound
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylhex-4-enamide
Catalog ID
STL522816
SMILES COc1c(C/C=C(/CCC(=O)NCCc2c[nH]c3c2cccc3)\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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-16(8-10-20-25(31)24-21(15-34-27(24)32)17(2)26(20)33-3)9-11-23(30)28-13-12-18-14-29-22-7-5-4-6-19(18)22/h4-8,14,29,31H,9-13,15H2,1-3H3,(H,28,30)/b16-8+InChIKey
XYQHXADDVFPLEC-LZYBPNLTSA-NSynonyms
1630908-17-6(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)~(N)(2(1~(H)indol3yl)ethyl)4methylhex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)N(2(1Hindol3yl)ethyl)4methylhex4enamide
(E)N(2(1HINDOL3YL)ETHYL)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDE
1630908176
91637667
COc1c(CC=C(CCC(=O)NCCc2c(nH)c3c2cccc3)C)c(O)c2c(c1C)COC2=O
InChI=1SC27H30N2O5c116(8102025(31)2421(153427(24)32)17(2)26(20)333)91123(30)28131218142922754619(18)22h48142931H91315H213H3(H2830)b168+
MFCD28349515
ZINC000217782475
ZINC217782475
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