Vitas-M small molecule compound

2-{[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile

Catalog ID
STK925720
SMILES N#Cc1c(C)cc(nc1SCC(=O)c1ccc(cc1O)O)C

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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 C16H14N2O3S MW 314.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O3S/c1-9-5-10(2)18-16(13(9)7-17)22-8-15(21)12-4-3-11(19)6-14(12)20/h3-6,19-20H,8H2,1-2H3
InChIKey
YQTBWXQVPDVTMX-UHFFFAOYSA-N
Synonyms
1007683-72-8
1007683728
2((2(24dihydroxyphenyl)2oxoethyl)sulfanyl)46dimethylpyridine3carbonitrile
2((2(24DIHYDROXYPHENYL)2OXOETHYL)THIO)46DIMETHYLNICOTINONITRILE
2(2(24dihydroxyphenyl)2oxoethyl)sulfanyl46dimethylpyridine3carbonitrile
2(2(24DIHYDROXYPHENYL)2OXOETHYLTHIO)46DIMETHYLPYRIDINE3CARBONITRILE
CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(C=C(C=C2)O)O)C
InChI=1SC16H14N2O3Sc19510(2)1816(13(9)717)22815(21)124311(19)614(12)20h361920H8H212H3
MFCD10041368
ZINC000011865317
ZINC11865317

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Available files

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