Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK581815
SMILES N#CC1=C(C)/C(=C/c2ccc(cc2)OCc2ccccc2F)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
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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 C25H21FN2O5S MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O5S/c1-16-21(24(29)28(25(30)22(16)13-27)19-10-11-34(31,32)15-19)12-17-6-8-20(9-7-17)33-14-18-4-2-3-5-23(18)26/h2-9,12,19H,10-11,14-15H2,1H3/b21-12-InChIKey
GHKPOJAEJLOAEJ-MTJSOVHGSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)5(4((2fluorobenzyl)oxy)benzylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)5((4((2fluorophenyl)methoxy)phenyl)methylidene)4methyl26dioxopyridine3carbonitrile
(Z)1(11dioxidotetrahydrothiophen3yl)5(4((2fluorobenzyl)oxy)benzylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(C=C2)OCC3=CC=CC=C3F)C4CCS(=O)(=O)C4)C#N
InChI=1SC25H21FN2O5Sc11621(24(29)28(25(30)22(16)1327)19101134(3132)1519)12176820(9717)331418423523(18)26h291219H10111415H21H3b2112
MFCD05689272
N#CC1=C(C)C(=Cc2ccc(cc2)OCc2ccccc2F)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009501228
ZINC000009501231
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