Vitas-M small molecule compound

(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate

Catalog ID
STK992958
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2)OS(=O)(=O)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 C20H17NO5S MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S/c1-3-21-12-13(15-6-4-5-7-17(15)21)10-19-20(22)16-9-8-14(11-18(16)25-19)26-27(2,23)24/h4-12H,3H2,1-2H3/b19-10+
InChIKey
XRSVUYYVSSFBLY-VXLYETTFSA-N
Synonyms
929417-88-9
((2E)2((1ethylindol3yl)methylidene)3oxo1benzofuran6yl)methanesulfonate
(2E)2((1ethyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6ylmethanesulfonate
(E)2((1ethyl1Hindol3yl)methylene)3oxo23dihydrobenzofuran6ylmethanesulfonate
2((1ETHYLINDOL3YL)METHYLENE)3OXOBENZO(34B)FURAN6YLMETHYLSULFONATE
929417889
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2)OS(=O)(=O)C
InChI=1SC20H17NO5Sc13211213(15645717(15)21)101920(22)169814(1118(16)2519)2627(223)24h412H3H212H3b1910+
MFCD09848912
ZINC000008993232
ZINC08993232
ZINC8993232

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.