Vitas-M small molecule compound

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

Catalog ID
STL010350
SMILES OCCN1CCN(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 C26H29FN2O3S MW 468.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN2O3S/c1-18-23(15-19-3-6-21(7-4-19)33(2)32)22-8-5-20(27)16-25(22)24(18)17-26(31)29-11-9-28(10-12-29)13-14-30/h3-8,15-16,30H,9-14,17H2,1-2H3/b23-15+
InChIKey
MYABVPPNZYEUAK-HZHRSRAPSA-N
Synonyms
1010865-13-0
(E)2(5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)1(4(2hydroxyethyl)piperazin1yl)ethanone
1010865130
2((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)1(4(2hydroxyethyl)piperazin1yl)ethanone
2((3E)6fluoro2methyl3((4methylsulfinylphenyl)methylidene)inden1yl)1(4(2hydroxyethyl)piperazin1yl)ethanone
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCN(CC4)CCO
InChI=1SC26H29FN2O3Sc11823(15193621(7419)33(2)32)228520(27)1625(22)24(18)1726(31)2911928(101229)131430h38151630H91417H212H3b2315+
MFCD09845552
OCCN1CCN(CC1)C(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2
ZINC000101473680
ZINC000101473682

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Available files

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