Vitas-M small molecule compound

(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[1-(propan-2-yl)-1H-indol-4-yl]hex-4-enamide

Catalog ID
STL521889
SMILES COc1c(C/C=C(/CCC(=O)Nc2cccc3c2ccn3C(C)C)\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 C29H34N2O5 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O5/c1-17(2)31-15-14-20-23(8-7-9-24(20)31)30-25(32)13-11-18(3)10-12-21-27(34-5)19(4)22-16-36-29(33)26(22)28(21)35-6/h7-10,14-15,17H,11-13,16H2,1-6H3,(H,30,32)/b18-10+
InChIKey
HEPQZAXOJBZTCA-VCHYOVAHSA-N
Synonyms
1574537-02-2
(~(E))6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(1propan2ylindol4yl)hex4enamide
(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(1(propan2yl)1Hindol4yl)hex4enamide
(E)6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)N(1ISOPROPYL1HINDOL4YL)4METHYLHEX4ENAMIDE
1574537022
75464724
COc1c(CC=C(CCC(=O)Nc2cccc3c2ccn3C(C)C)C)c(OC)c2c(c1C)COC2=O
InChI=1SC29H34N2O5c117(2)3115142023(87924(20)31)3025(32)131118(3)10122127(345)19(4)22163629(33)26(22)28(21)356h710141517H111316H216H3(H3032)b1810+
MFCD28051999
ZINC000096116360
ZINC96116360

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Available files

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