Vitas-M small molecule compound
ethyl 5-({3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STL396853
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CCn1nc(c(c1C)Br)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 C17H16BrF3N4O3S MW 493.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrF3N4O3S/c1-4-28-16(27)13-8(2)10(7-22)15(29-13)23-11(26)5-6-25-9(3)12(18)14(24-25)17(19,20)21/h4-6H2,1-3H3,(H,23,26)InChIKey
ZLNKXUWFZHYTEJ-UHFFFAOYSA-NSynonyms
1005563-08-51005563085
CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)C#N)C
ETHYL5((3(4BROMO5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)PROPANOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5(3(4BROMO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)PROPANOYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC17H16BrF3N4O3Sc142816(27)138(2)10(722)15(2913)2311(26)56259(3)12(18)14(2425)17(1920)21h46H213H3(H2326)
MFCD04056720
ZINC000002793671
ZINC02793671
ZINC2793671
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