Vitas-M small molecule compound

{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}acetic acid

Catalog ID
STK078035
SMILES N#Cc1c(SCC(=O)O)nc(cc1c1ccccc1OC)c1ccccc1

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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 C21H16N2O3S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O3S/c1-26-19-10-6-5-9-15(19)16-11-18(14-7-3-2-4-8-14)23-21(17(16)12-22)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25)
InChIKey
HXHZNFAFHFRUIE-UHFFFAOYSA-N
Synonyms
312757-90-7
((3CYANO4(2METHOXYPHENYL)6PHENYLPYRIDIN2YL)SULFANYL)ACETICACID
(3CYANO4(2METHOXYPHENYL)6PHENYLPYRIDIN2YLSULFANYL)ACETICACID
2((3CYANO4(2METHOXYPHENYL)6PHENYL2PYRIDINYL)THIO)ACETICACID
2((3CYANO4(2METHOXYPHENYL)6PHENYL2PYRIDYL)THIO)ACETICACID
2((3cyano4(2methoxyphenyl)6phenylpyridin2yl)thio)aceticacid
2(3CYANO4(2METHOXYPHENYL)6PHENYL2PYRIDYLTHIO)ACETICACID
2(3CYANO4(2METHOXYPHENYL)6PHENYLPYRIDIN2YL)SULFANYLACETICACID
2(3CYANO4(2METHOXYPHENYL)6PHENYLPYRIDIN2YL)SULFANYLETHANOICACID
312757907
COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3
InChI=1SC21H16N2O3Sc126191065915(19)161118(147324814)2321(17(16)1222)271320(24)25h211H13H21H3(H2425)
MFCD00355008
N#Cc1c(SCC(=O)O)nc(cc1c1ccccc1OC)c1ccccc1
OACYLOXIMEISATINDERIVATIVE51
STK078035
ZINC000004645096
ZINC4645096

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.