Vitas-M small molecule compound

ethyl 4-cyano-5-[({[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate

Catalog ID
STK545267
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)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 C24H17F3N4O3S2 MW 530.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17F3N4O3S2/c1-3-34-23(33)20-13(2)15(10-28)22(36-20)31-19(32)12-35-21-16(11-29)17(24(25,26)27)9-18(30-21)14-7-5-4-6-8-14/h4-9H,3,12H2,1-2H3,(H,31,32)
InChIKey
WKCCXDWFCGTYDM-UHFFFAOYSA-N
Synonyms
445383-24-4
445383244
4CYANO5(2(3CYANO6PHENYL4TRIFLUOROMETHYLPYRIDIN2YLSULFANYL)ACETYLAMINO)3METHYLTHIOPHENE2CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N)C#N)C
ETHYL4CYANO5((((3CYANO6PHENYL4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)ACETYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
ethyl4cyano5((((3cyano6phenyl4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ETHYL4CYANO5((2(3CYANO6PHENYL4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
ethyl4cyano5(2((3cyano6phenyl4(trifluoromethyl)pyridin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC24H17F3N4O3S2c133423(33)2013(2)15(1028)22(3620)3119(32)12352116(1129)17(24(2526)27)918(3021)147546814h49H312H212H3(H3132)
MFCD03075974
ZINC000008451107
ZINC8451107

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Available files

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