Vitas-M small molecule compound

ethyl 2-({[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-methylthiophene-3-carboxylate

Catalog ID
STK449733
SMILES CCOC(=O)c1cc(sc1NC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(s1)Cl)C

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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 C20H14ClF3N4O3S2 MW 514.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClF3N4O3S2/c1-3-31-19(30)10-6-9(2)32-18(10)26-17(29)12-8-16-25-11(13-4-5-15(21)33-13)7-14(20(22,23)24)28(16)27-12/h4-8H,3H2,1-2H3,(H,26,29)
InChIKey
JNHQJIUBRMLJKB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(S4)Cl)C(F)(F)F
ETHYL2(((5(5CHLORO2THIENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)CARBONYL)AMINO)5METHYL3THIOPHENECARBOXYLATE
ethyl2(((5(5chlorothiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)5methylthiophene3carboxylate
ETHYL2((5(5CHLORO(2THIENYL))7(TRIFLUOROMETHYL)(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL))CARBONYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((5(5CHLOROTHIOPHEN2YL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H14ClF3N4O3S2c133119(30)1069(2)3218(10)2617(29)128162511(134515(21)3313)714(20(2223)24)28(16)2712h48H3H212H3(H2629)
MFCD03467384
ZINC000000655417
ZINC00655417
ZINC655417

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Available files

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