Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK862770
SMILES CCOc1ccc(cc1)C1CC(=O)NC(=C1C#N)SCc1ccccc1Cl
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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 C21H19ClN2O2S MW 398.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O2S/c1-2-26-16-9-7-14(8-10-16)17-11-20(25)24-21(18(17)12-23)27-13-15-5-3-4-6-19(15)22/h3-10,17H,2,11,13H2,1H3,(H,24,25)InChIKey
ISMWLYNWUIQQRH-UHFFFAOYSA-NSynonyms
2((2chlorobenzyl)sulfanyl)4(4ethoxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
6((2CHLOROPHENYL)METHYLSULFANYL)4(4ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3Cl
InChI=1SC21H19ClN2O2Sc1226169714(81016)171120(25)2421(18(17)1223)271315534619(15)22h31017H21113H21H3(H2425)
MFCD03723891
ZINC000002836465
ZINC000002836466
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