Vitas-M small molecule compound

(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]hex-4-enamide

Catalog ID
STL471040
SMILES COc1c(C/C=C(/CCC(=O)Nc2ccc(cc2)Cn2cncn2)\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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-16(4-10-20-24(32)23-21(13-35-26(23)33)17(2)25(20)34-3)5-11-22(31)29-19-8-6-18(7-9-19)12-30-15-27-14-28-30/h4,6-9,14-15,32H,5,10-13H2,1-3H3,(H,29,31)/b16-4+
InChIKey
AJBXCRYSGCLOMP-AYSLTRBKSA-N
Synonyms
1282458-39-2
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(4(1H124triazol1ylmethyl)phenyl)hex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylN(4(124triazol1ylmethyl)phenyl)hex4enamide
(E)N(4((1H124triazol1yl)methyl)phenyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
1282458392
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NC3=CC=C(C=C3)CN4C=NC=N4)OC
COc1c(CC=C(CCC(=O)Nc2ccc(cc2)Cn2cncn2)C)c(O)c2c(c1C)COC2=O
InChI=1SC26H28N4O5c116(4102024(32)2321(133526(23)33)17(2)25(20)343)51122(31)29198618(7919)12301527142830h469141532H51013H213H3(H2931)b164+
MFCD18791032
ZINC000062001643
ZINC62001643

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Available files

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