Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(1H-1,2,4-triazol-3-yl)hex-4-enamide
Catalog ID
STL521725
SMILES COc1c(C/C=C(/CCC(=O)Nc2nc[nH]n2)\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 C20H24N4O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5/c1-11(6-8-15(25)23-20-21-10-22-24-20)5-7-13-17(27-3)12(2)14-9-29-19(26)16(14)18(13)28-4/h5,10H,6-9H2,1-4H3,(H2,21,22,23,24,25)/b11-5+InChIKey
QGTXNYXKUDSPOE-VZUCSPMQSA-NSynonyms
1574537-21-5(~(E))6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(1~(H)124triazol5yl)hex4enamide
(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(1H124triazol3yl)hex4enamide
(E)6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(4H124TRIAZOL3YL)HEX4ENAMIDE
1574537215
75356782
COc1c(CC=C(CCC(=O)Nc2(nH)cnn2)C)c(OC)c2c(c1C)COC2=O
InChI=1SC20H24N4O5c111(6815(25)23202110222420)571317(273)12(2)1492919(26)16(14)18(13)284h510H69H214H3(H22122232425)b115+
MFCD31752348
ZINC000096116387
ZINC96116387
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