Vitas-M small molecule compound

{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid

Catalog ID
STK802068
SMILES OC(=O)CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2

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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 C20H17FO3S MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChIKey
MLKXDPUZXIRXEP-RQZCQDPDSA-N
Synonyms
49627-22-7
((1E)5FLUORO2METHYL1((4(METHYLSULFINYL)PHENYL)METHYLIDENE)1HINDEN3YL)ACETICACID
((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)aceticacid
(5FLUORO2METHYL1(4(METHYLSULFINYL)BENZYLIDENE)1HINDEN3YL)ACETICACID
(E)(1)5FLUORO2METHYL1((4(METHYLSULPHINYL)PHENYL)METHYLENE)1HINDENE3ACETICACID
(E)2(5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)aceticacid
(Z)5FLUORO2METHYL1(P(METHYLSULFINYL)BENZYLIDENE)INDENE3ACETICACID
1HINDENE3ACETICACID5FLUORO2METHYL1((4((R)METHYLSULFINYL)PHENYL)METHYLENE)(1E)
1HINDENE3ACETICACID5FLUORO2METHYL1((4((S)METHYLSULFINYL)PHENYL)METHYLENE)(1E)
1HINDENE3ACETICACID5FLUORO2METHYL1((4(METHYLSULFINYL)PHENYL)METHYLENE)(E)
2((3E)6FLUORANYL2METHYL3((4METHYLSULFINYLPHENYL)METHYLIDENE)INDEN1YL)ETHANOICACID
2((3E)6FLUORO2METHYL3((4METHYLSULFINYLPHENYL)METHYLIDENE)1INDENYL)ACETICACID
2((3E)6FLUORO2METHYL3((4METHYLSULFINYLPHENYL)METHYLIDENE)INDEN1YL)ACETICACID
2((3E)6FLUORO2METHYL3(4METHYLSULFINYLBENZYLIDENE)INDEN1YL)ACETICACID
2(6FLUORO2METHYL3((4METHYLSULFINYLPHENYL)METHYLIDENE)INDEN1YL)ACETICACID
49627227
5FLUORO1(4(METHYLSULFINYL)BENZYLIDENE)2METHYL1HINDENE3ACETICACID
5FLUORO2METHYL1((E)(4(METHYLSULFINYL)PHENYL)METHYLENE)1HINDENE3ACETICACID
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
InChI=1SC20H17FO3Sc11217(9133615(7413)25(2)24)168514(21)1019(16)18(12)1120(22)23h310H11H212H3(H2223)b179+
MFCD00057817
OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2
ZINC000012503133
ZINC000031356637

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Available files

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