Vitas-M small molecule compound

ethyl N-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate

Catalog ID
STK529068
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc(c(c1C#N)CC)C)OCC(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 C16H17F6N3O4S MW 461.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F6N3O4S/c1-4-9-8(3)30-11(10(9)6-23)24-13(27)25-15(16(20,21)22,12(26)28-5-2)29-7-14(17,18)19/h4-5,7H2,1-3H3,(H2,24,25,27)
InChIKey
CLGHYZNFYQPLQV-UHFFFAOYSA-N
Synonyms
374100-08-0
374100080
CCC1=C(SC(=C1C#N)NC(=O)NC(C(=O)OCC)(C(F)(F)F)OCC(F)(F)F)C
ETHYL2((((3CYANO4ETHYL5METHYL2THIENYL)AMINO)CARBONYL)AMINO)333TRIFLUORO2(222TRIFLUOROETHOXY)PROPANOATE
ETHYL2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)CARBAMOYLAMINO)333TRIFLUORO2(222TRIFLUOROETHOXY)PROPANOATE
ethyl2(3(3cyano4ethyl5methylthiophen2yl)ureido)333trifluoro2(222trifluoroethoxy)propanoate
ethylN((3cyano4ethyl5methylthiophen2yl)carbamoyl)333trifluoro2(222trifluoroethoxy)alaninate
InChI=1SC16H17F6N3O4Sc1498(3)3011(10(9)623)2413(27)2515(16(2021)2212(26)2852)29714(1718)19h457H213H3(H2242527)
MFCD01952183
PROPANOICACID2(3(3CYANO4ETHYL5METHYL2THIENYL)UREIDO)333TRIFLUORO2(222TRIFLUOROETHOXY)ETHYLESTER
ZINC000002283881
ZINC000002283882

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Available files

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