Vitas-M small molecule compound
ethyl 4-[({[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK812489
SMILES CCCOc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)C(=O)OCC)c(c(c1)C(F)(F)F)C#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 C27H24F3N3O4S MW 543.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3N3O4S/c1-3-13-37-20-11-7-17(8-12-20)23-14-22(27(28,29)30)21(15-31)25(33-23)38-16-24(34)32-19-9-5-18(6-10-19)26(35)36-4-2/h5-12,14H,3-4,13,16H2,1-2H3,(H,32,34)InChIKey
FKUNLERJBHWVEB-UHFFFAOYSA-NSynonyms
CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC
ethyl4((((3cyano6(4propoxyphenyl)4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2(3CYANO6(4PROPOXYPHENYL)4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
ETHYL4(2((3CYANO6(4PROPOXYPHENYL)4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYL)ACETAMIDO)BENZOATE
InChI=1SC27H24F3N3O4Sc1313372011717(81220)231422(27(2829)30)21(1531)25(3323)381624(34)32199518(61019)26(35)3642h51214H341316H212H3(H3234)
MFCD06265009
ZINC000097956870
ZINC97956870
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