Vitas-M small molecule compound
(2E)-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate
Catalog ID
STK626702
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C)OS(=O)(=O)c1ccc(cc1)C)cn2C
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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 C27H23NO6S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO6S/c1-16-5-8-20(9-6-16)35(30,31)34-24-12-10-21-26(29)25(33-27(21)17(24)2)13-18-15-28(3)23-11-7-19(32-4)14-22(18)23/h5-15H,1-4H3/b25-13+InChIKey
PVECZXIQLNFPDD-DHRITJCHSA-NSynonyms
929380-70-1((2E)2((5methoxy1methylindol3yl)methylidene)7methyl3oxo1benzofuran6yl)4methylbenzenesulfonate
(2E)2((5methoxy1methyl1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6yl4methylbenzenesulfonate
(E)2((5methoxy1methyl1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6yl4methylbenzenesulfonate
2((5METHOXY1METHYLINDOL3YL)METHYLENE)7METHYL3OXOBENZO(34B)FURAN6YL4METHYLBENZENESULFONATE
929380701
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=O)C(=CC4=CN(C5=C4C=C(C=C5)OC)C)O3)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C)OS(=O)(=O)c1ccc(cc1)C)cn2C
InChI=1SC27H23NO6Sc1165820(9616)35(3031)342412102126(29)25(3327(21)17(24)2)13181528(3)2311719(324)1422(18)23h515H14H3b2513+
MFCD09791314
ZINC000008990308
ZINC08990308
ZINC8990308
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