Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK838870
SMILES CCOc1ccc(cc1OC)C1CC(=O)NC(=C1C#N)SCc1ccccc1
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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 C22H22N2O3S MW 394.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3S/c1-3-27-19-10-9-16(11-20(19)26-2)17-12-21(25)24-22(18(17)13-23)28-14-15-7-5-4-6-8-15/h4-11,17H,3,12,14H2,1-2H3,(H,24,25)InChIKey
PARPPPINWQHJIJ-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)4(4ethoxy3methoxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
2(benzylthio)4(4ethoxy3methoxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
4(4ETHOXY3METHOXYPHENYL)6OXO2(PHENYLMETHYLTHIO)145TRIHYDROPYRIDINE3CARBONITRILE
6BENZYLSULFANYL4(4ETHOXY3METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
CCOC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)OC
InChI=1SC22H22N2O3Sc13271910916(1120(19)262)171221(25)2422(18(17)1323)2814157546815h41117H31214H212H3(H2425)
MFCD02106938
ZINC000009012181
ZINC000009012182
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