Vitas-M small molecule compound
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-({[3-(trifluoromethyl)phenyl]carbonyl}amino)alaninate
Catalog ID
STK786632
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)c1cccc(c1)C(F)(F)F
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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 C21H19F6N3O3S MW 507.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F6N3O3S/c1-4-14-11(3)34-17(15(14)10-28)30-19(21(25,26)27,18(32)33-5-2)29-16(31)12-7-6-8-13(9-12)20(22,23)24/h6-9,30H,4-5H2,1-3H3,(H,29,31)InChIKey
OYKGXOQCPBIROO-UHFFFAOYSA-NSynonyms
374547-49-6374547496
CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C
ETHYL2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)AMINO)333TRIFLUORO2((3(TRIFLUOROMETHYL)BENZOYL)AMINO)PROPANOATE
ethyl2((3cyano4ethyl5methylthiophen2yl)amino)333trifluoro2(3(trifluoromethyl)benzamido)propanoate
ethylN(3cyano4ethyl5methylthiophen2yl)333trifluoro2(((3(trifluoromethyl)phenyl)carbonyl)amino)alaninate
InChI=1SC21H19F6N3O3Sc141411(3)3417(15(14)1028)3019(21(2526)2718(32)3352)2916(31)1276813(912)20(2223)24h6930H45H213H3(H2931)
MFCD01957007
ZINC000009339696
ZINC000012413175
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