Vitas-M small molecule compound

1-tert-butyl-4-{[(1E)-3-phenylprop-1-en-1-yl]sulfonyl}benzene

Catalog ID
STK273819
SMILES CC(c1ccc(cc1)S(=O)(=O)/C=C/Cc1ccccc1)(C)C

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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 C19H22O2S MW 314.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22O2S/c1-19(2,3)17-11-13-18(14-12-17)22(20,21)15-7-10-16-8-5-4-6-9-16/h4-9,11-15H,10H2,1-3H3/b15-7+
InChIKey
NCJGWTCCKBPKSM-VIZOYTHASA-N
Synonyms

1tertbutyl4(((1E)3phenylprop1en1yl)sulfonyl)benzene
1TERTBUTYL4((3PHENYL1PROPENYL)SULFONYL)BENZENE
1tertbutyl4((E)3phenylprop1enyl)sulfonylbenzene
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CCC2=CC=CC=C2
CC(c1ccc(cc1)S(=O)(=O)C=CCc1ccccc1)(C)C
InChI=1SC19H22O2Sc119(23)17111318(141217)22(2021)15710168546916h491115H10H213H3b157+
MFCD08706564
ZINC000009614860
ZINC09614860
ZINC9614860

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.