Vitas-M small molecule compound
4-({[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STK048008
SMILES COc1ccc(cc1)c1cc(nc(c1C#N)SCc1ccc(cc1)C(=O)O)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 C27H20N2O3S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O3S/c1-32-22-13-11-19(12-14-22)23-15-25(20-5-3-2-4-6-20)29-26(24(23)16-28)33-17-18-7-9-21(10-8-18)27(30)31/h2-15H,17H2,1H3,(H,30,31)InChIKey
LAKQOQCKGRXHND-UHFFFAOYSA-NSynonyms
353461-75-3353461753
4(((3CYANO4(4METHOXYPHENYL)6PHENYLPYRIDIN2YL)SULFANYL)METHYL)BENZOICACID
4(((3cyano4(4methoxyphenyl)6phenylpyridin2yl)thio)methyl)benzoicacid
4((3CYANO4(4METHOXYPHENYL)6PHENYLPYRIDIN2YL)SULFANYLMETHYL)BENZOICACID
COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
COc1ccc(cc1)c1cc(nc(c1C#N)SCc1ccc(cc1)C(=O)O)c1ccccc1
InChI=1SC27H20N2O3Sc13222131119(121422)231525(205324620)2926(24(23)1628)3317187921(10818)27(30)31h215H17H21H3(H3031)
MFCD01416819
STK048008
ZINC000008448527
ZINC8448527
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