Vitas-M small molecule compound

(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-chlorobenzenesulfonate

Catalog ID
STK623922
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)Cl

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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 C25H18ClNO5S MW 479.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClNO5S/c1-2-27-15-16(20-5-3-4-6-22(20)27)13-24-25(28)21-12-9-18(14-23(21)31-24)32-33(29,30)19-10-7-17(26)8-11-19/h3-15H,2H2,1H3/b24-13+
InChIKey
NLGMJVSHPUSRHB-ZMOGYAJESA-N
Synonyms
929381-06-6
((2E)2((1ethylindol3yl)methylidene)3oxo1benzofuran6yl)4chlorobenzenesulfonate
(2E)2((1ethyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6yl4chlorobenzenesulfonate
(E)2((1ethyl1Hindol3yl)methylene)3oxo23dihydrobenzofuran6yl4chlorobenzenesulfonate
2((1ETHYLINDOL3YL)METHYLENE)3OXOBENZO(34B)FURAN6YL4CHLOROBENZENESULFONATE
929381066
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)Cl
InChI=1SC25H18ClNO5Sc12271516(20534622(20)27)132425(28)2112918(1423(21)3124)3233(2930)1910717(26)81119h315H2H21H3b2413+
MFCD09790572
ZINC000009423019
ZINC09423019
ZINC9423019

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Available files

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