Vitas-M small molecule compound
ethyl 4-[({[6-{4-[(4-chlorobenzyl)oxy]phenyl}-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK816477
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccc(cc1)OCc1ccc(cc1)Cl
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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 C31H23ClF3N3O4S MW 626.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23ClF3N3O4S/c1-2-41-30(40)21-5-11-23(12-6-21)37-28(39)18-43-29-25(16-36)26(31(33,34)35)15-27(38-29)20-7-13-24(14-8-20)42-17-19-3-9-22(32)10-4-19/h3-15H,2,17-18H2,1H3,(H,37,39)InChIKey
PSBAUCOPRDYFSH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C(F)(F)F)C#N
ethyl4((((6(4((4chlorobenzyl)oxy)phenyl)3cyano4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2(6(4((4CHLOROPHENYL)METHOXY)PHENYL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
InChI=1SC31H23ClF3N3O4Sc124130(40)2151123(12621)3728(39)18432925(1636)26(31(3334)35)1527(3829)2071324(14820)4217193922(32)10419h315H21718H21H3(H3739)
MFCD04518719
ZINC000098047651
ZINC98047651
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