Vitas-M small molecule compound

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-fluorobenzyl)-3-(4-methylphenyl)prop-2-enamide

Catalog ID
STK882899
SMILES Cc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccccc1F

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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 C21H22FNO3S MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FNO3S/c1-16-6-8-17(9-7-16)10-11-21(24)23(19-12-13-27(25,26)15-19)14-18-4-2-3-5-20(18)22/h2-11,19H,12-15H2,1H3/b11-10+
InChIKey
ZVOJQEGGVDGEHX-ZHACJKMWSA-N
Synonyms

(2E)N(11dioxidotetrahydrothiophen3yl)N(2fluorobenzyl)3(4methylphenyl)prop2enamide
(E)N(11dioxothiolan3yl)N((2fluorophenyl)methyl)3(4methylphenyl)prop2enamide
CC1=CC=C(C=C1)C=CC(=O)N(CC2=CC=CC=C2F)C3CCS(=O)(=O)C3
Cc1ccc(cc1)C=CC(=O)N(C1CCS(=O)(=O)C1)Cc1ccccc1F
InChI=1SC21H22FNO3Sc1166817(9716)101121(24)23(19121327(2526)1519)1418423520(18)22h21119H1215H21H3b1110+
MFCD06646516
ZINC000016750003
ZINC000016750006

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Available files

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