Vitas-M small molecule compound
(4E)-N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL522151
SMILES COc1c(C/C=C(/CCC(=O)/N=c\2/[nH]nc(s2)C(C)(C)C)\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 C23H29N3O5S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O5S/c1-12(8-10-16(27)24-22-26-25-21(32-22)23(3,4)5)7-9-14-18(28)17-15(11-31-20(17)29)13(2)19(14)30-6/h7,28H,8-11H2,1-6H3,(H,24,26,27)/b12-7+InChIKey
GWUWCZXJUMFZRV-KPKJPENVSA-NSynonyms
1574537-41-9(~(E))~(N)(5~(tert)butyl134thiadiazol2yl)6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enamide
(4E)N((2Z)5tertbutyl134thiadiazol2(3H)ylidene)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(5(TERTBUTYL)134THIADIAZOL2YL)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDE
1574537419
75356731
MFCD31752490
ZINC000095928384
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