Vitas-M small molecule compound

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

Catalog ID
STK617904
SMILES NC(=O)C1CCN(CC1)C(=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 C26H27FN2O3S MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN2O3S/c1-16-22(13-17-3-6-20(7-4-17)33(2)32)21-8-5-19(27)14-24(21)23(16)15-25(30)29-11-9-18(10-12-29)26(28)31/h3-8,13-14,18H,9-12,15H2,1-2H3,(H2,28,31)/b22-13+
InChIKey
KDDQUICQODOTCV-LPYMAVHISA-N
Synonyms
956509-66-3
(E)1(2(5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)acetyl)piperidine4carboxamide
1(((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)acetyl)piperidine4carboxamide
1(2((3E)6fluoro2methyl3((4methylsulfinylphenyl)methylidene)inden1yl)acetyl)piperidine4carboxamide
956509663
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCC(CC4)C(=O)N
InChI=1SC26H27FN2O3Sc11622(13173620(7417)33(2)32)218519(27)1424(21)23(16)1525(30)2911918(101229)26(28)31h38131418H91215H212H3(H22831)b2213+
MFCD09794783
NC(=O)C1CCN(CC1)C(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2
ZINC000101481614
ZINC000101481619

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Available files

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