Vitas-M small molecule compound
2-{[2-chloro-6-methoxy-4-(piperidin-1-ylcarbonothioyl)phenoxy]methyl}benzonitrile
Catalog ID
STL376410
SMILES COc1cc(cc(c1OCc1ccccc1C#N)Cl)C(=S)N1CCCCC1
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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 C21H21ClN2O2S MW 400.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O2S/c1-25-19-12-17(21(27)24-9-5-2-6-10-24)11-18(22)20(19)26-14-16-8-4-3-7-15(16)13-23/h3-4,7-8,11-12H,2,5-6,9-10,14H2,1H3InChIKey
OKFSEBSIYYSZFU-UHFFFAOYSA-NSynonyms
2((2chloro6methoxy4(piperidin1ylcarbonothioyl)phenoxy)methyl)benzonitrile
2((2CHLORO6METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENOXY)METHYL)BENZONITRILE
COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Cl)OCC3=CC=CC=C3C#N
InChI=1SC21H21ClN2O2Sc125191217(21(27)2495261024)1118(22)20(19)261416843715(16)1323h34781112H25691014H21H3
MFCD05998269
ZINC000001072817
ZINC01072817
ZINC1072817
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