Vitas-M small molecule compound
4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile
Catalog ID
STL301074
SMILES COc1ccc(cc1)c1c2CCCc2[nH]c(=S)c1C#N
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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 C16H14N2OS MW 282.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2OS/c1-19-11-7-5-10(6-8-11)15-12-3-2-4-14(12)18-16(20)13(15)9-17/h5-8H,2-4H2,1H3,(H,18,20)InChIKey
IVCIQZKVLKGZAG-UHFFFAOYSA-NSynonyms
120517-49-9120517499
4(4methoxyphenyl)2sulfanylidene1567tetrahydrocyclopenta(b)pyridine3carbonitrile
4(4methoxyphenyl)2thioxo2567tetrahydro1Hcyclopenta(b)pyridine3carbonitrile
COC1=CC=C(C=C1)C2=C(C(=S)NC3=C2CCC3)C#N
COc1ccc(cc1)c1c2CCCc2(nH)c(=S)c1C#N
InChI=1SC16H14N2OSc119117510(6811)151232414(12)1816(20)13(15)917h58H24H21H3(H1820)
MFCD00731566
ZINC000000495569
ZINC495569
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