Vitas-M small molecule compound
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-{[(4-fluorophenyl)carbonyl]amino}alaninate
Catalog ID
STK834608
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)c1ccc(cc1)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 C20H19F4N3O3S MW 457.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F4N3O3S/c1-4-14-11(3)31-17(15(14)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)12-6-8-13(21)9-7-12/h6-9,27H,4-5H2,1-3H3,(H,26,28)InChIKey
HRUOSAABYAURNO-UHFFFAOYSA-NSynonyms
352317-40-9352317409
CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)F)C
ETHYL2((3CYANO4ETHYL5METHYL2THIENYL)AMINO)333TRIFLUORO2((4FLUOROBENZOYL)AMINO)PROPANOATE
ETHYL2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)AMINO)333TRIFLUORO2((4FLUOROBENZOYL)AMINO)PROPANOATE
ethyl2((3cyano4ethyl5methylthiophen2yl)amino)333trifluoro2(4fluorobenzamido)propanoate
ethylN(3cyano4ethyl5methylthiophen2yl)333trifluoro2(((4fluorophenyl)carbonyl)amino)alaninate
InChI=1SC20H19F4N3O3Sc141411(3)3117(15(14)1025)2719(20(2223)2418(29)3052)2616(28)126813(21)9712h6927H45H213H3(H2628)
MFCD01954148
ZINC000002050136
ZINC000002050137
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