Vitas-M small molecule compound
(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate
Catalog ID
STK618080
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3)OS(=O)(=O)c1ccc(cc1)C)cn2CC
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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/c1-4-28-16-18(23-14-19(32-3)8-12-24(23)28)13-26-27(29)22-11-7-20(15-25(22)33-26)34-35(30,31)21-9-5-17(2)6-10-21/h5-16H,4H2,1-3H3/b26-13+InChIKey
DTZJUNDWYMYJMO-LGJNPRDNSA-NSynonyms
929380-96-1((2E)2((1ethyl5methoxyindol3yl)methylidene)3oxo1benzofuran6yl)4methylbenzenesulfonate
(2E)2((1ethyl5methoxy1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6yl4methylbenzenesulfonate
(E)2((1ethyl5methoxy1Hindol3yl)methylene)3oxo23dihydrobenzofuran6yl4methylbenzenesulfonate
2((1ETHYL5METHOXYINDOL3YL)METHYLENE)3OXOBENZO(34B)FURAN6YL4METHYLBENZENESULFONATE
929380961
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3)OS(=O)(=O)c1ccc(cc1)C)cn2CC
InChI=1SC27H23NO6Sc14281618(231419(323)81224(23)28)132627(29)2211720(1525(22)3326)3435(3031)219517(2)61021h516H4H213H3b2613+
MFCD09797345
ZINC000009423608
ZINC09423608
ZINC9423608
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