Vitas-M small molecule compound
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK541875
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)NCc1ccccc1
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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 C23H20FN3O4S MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O4S/c1-31-23(30)20-19(15-9-5-6-10-17(15)24)16(11-25)22(27-21(20)29)32-13-18(28)26-12-14-7-3-2-4-8-14/h2-10,19-20H,12-13H2,1H3,(H,26,28)(H,27,29)InChIKey
YODRZWOGLGGORO-UHFFFAOYSA-NSynonyms
488743-73-3488743733
COC(=O)C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CC=C3F
InChI=1SC23H20FN3O4Sc13123(30)2019(159561017(15)24)16(1125)22(2721(20)29)321318(28)2612147324814h2101920H1213H21H3(H2628)(H2729)
methyl6((2(benzylamino)2oxoethyl)sulfanyl)5cyano4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6((2(benzylamino)2oxoethyl)thio)5cyano4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6(2(BENZYLAMINO)2OXOETHYL)SULFANYL5CYANO4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03292161
ZINC000009353810
ZINC000016996363
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