Vitas-M small molecule compound
1-({(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetyl)-L-proline
Catalog ID
STK717291
SMILES OC(=O)C1CCCN1C(=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 C25H24FNO4S MW 453.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FNO4S/c1-15-20(12-16-5-8-18(9-6-16)32(2)31)19-10-7-17(26)13-22(19)21(15)14-24(28)27-11-3-4-23(27)25(29)30/h5-10,12-13,23H,3-4,11,14H2,1-2H3,(H,29,30)/b20-12+InChIKey
SPKMYPWQGOEQLV-UDWIEESQSA-NSynonyms
(2S)1(2((Z)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)acetyl)pyrrolidine2carboxylicacid
1(((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)acetyl)Lproline
1(2((3E)6fluoro2methyl3((4methylsulfinylphenyl)methylidene)inden1yl)acetyl)pyrrolidine2carboxylicacid
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCCC4C(=O)O
InChI=1SC25H24FNO4Sc11520(12165818(9616)32(2)31)1910717(26)1322(19)21(15)1424(28)27113423(27)25(29)30h510121323H341114H212H3(H2930)b2012+
MFCD13371571
OC(=O)(C@@H)1CCCN1C(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2
OC(=O)C1CCCN1C(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2
ZINC000101648223
ZINC000101648231
Check stock
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Check stock on Vitas-MAvailable files
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