Vitas-M small molecule compound
methyl (2E)-2-{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL522892
SMILES COC(=O)c1[nH]/c(=N\C(=O)CC/C(=C/Cc2c(O)c3C(=O)OCc3c(c2OC)C)/C)/sc1CC(C)C
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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 C26H32N2O7S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O7S/c1-13(2)11-18-21(25(32)34-6)28-26(36-18)27-19(29)10-8-14(3)7-9-16-22(30)20-17(12-35-24(20)31)15(4)23(16)33-5/h7,13,30H,8-12H2,1-6H3,(H,27,28,29)/b14-7+InChIKey
ZOLQVHOYZPJDIH-VGOFMYFVSA-NSynonyms
1630907-83-3(E)METHYL2(6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDO)5ISOBUTYLTHIAZOLE4CARBOXYLATE
1630907833
91638397
InChI=1SC26H32N2O7Sc113(2)111821(25(32)346)2826(3618)2719(29)10814(3)791622(30)2017(123524(20)31)15(4)23(16)335h71330H812H216H3(H272829)b147+
methyl(2E)2(((4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2(((~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enoyl)amino)5(2methylpropyl)13thiazole4carboxylate
MFCD31752716
ZINC000217890376
ZINC217890376
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