Vitas-M small molecule compound
4-(4-methoxyphenyl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK709608
SMILES N#Cc1c(=S)[nH]c2c(c1c1ccc(cc1)OC)CCCC2
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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 C17H16N2OS MW 296.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2OS/c1-20-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)19-17(21)14(16)10-18/h6-9H,2-5H2,1H3,(H,19,21)InChIKey
GEAYTMBRNRHJQO-UHFFFAOYSA-NSynonyms
117601-23-7117601237
4(4methoxyphenyl)2sulfanylidene5678tetrahydro1Hquinoline3carbonitrile
4(4methoxyphenyl)2thioxo125678hexahydroquinoline3carbonitrile
COC1=CC=C(C=C1)C2=C(C(=S)NC3=C2CCCC3)C#N
InChI=1SC17H16N2OSc120128611(7912)1613423515(13)1917(21)14(16)1018h69H25H21H3(H1921)
MFCD00742776
N#Cc1c(=S)(nH)c2c(c1c1ccc(cc1)OC)CCCC2
ZINC000000050054
ZINC00050054
ZINC50054
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