Vitas-M small molecule compound

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

Catalog ID
STL010876
SMILES O=C(N1CCN(CC1)Cc1ccccc1)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 C31H31FN2O2S MW 514.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN2O2S/c1-22-28(18-23-8-11-26(12-9-23)37(2)36)27-13-10-25(32)19-30(27)29(22)20-31(35)34-16-14-33(15-17-34)21-24-6-4-3-5-7-24/h3-13,18-19H,14-17,20-21H2,1-2H3/b28-18+
InChIKey
NQLQOXOXTPFDTG-MTDXEUNCSA-N
Synonyms
1006025-62-2
(E)1(4benzylpiperazin1yl)2(5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)ethanone
1(4benzylpiperazin1yl)2((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)ethanone
1(4benzylpiperazin1yl)2((3E)6fluoro2methyl3((4methylsulfinylphenyl)methylidene)inden1yl)ethanone
1006025622
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCN(CC4)CC5=CC=CC=C5
InChI=1SC31H31FN2O2Sc12228(182381126(12923)37(2)36)27131025(32)1930(27)29(22)2031(35)34161433(151734)21246435724h3131819H14172021H212H3b2818+
MFCD08748426
O=C(N1CCN(CC1)Cc1ccccc1)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2
ZINC000101454795
ZINC000101454798

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Available files

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