Vitas-M small molecule compound
ethyl 2-({[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STL390767
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2Cl)nc(cc3C(F)(F)F)c2cccs2)sc2c1CCC2
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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 C22H16ClF3N4O3S2 MW 540.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClF3N4O3S2/c1-2-33-21(32)15-10-5-3-6-12(10)35-20(15)28-19(31)17-16(23)18-27-11(13-7-4-8-34-13)9-14(22(24,25)26)30(18)29-17/h4,7-9H,2-3,5-6H2,1H3,(H,28,31)InChIKey
MJIGZCQJVRJNFM-UHFFFAOYSA-NSynonyms
313248-51-0313248510
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F
ETHYL2(((3CHLORO5(2THIENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ethyl2(((3chloro5(thiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((3CHLORO5(2THIENYL)7(TRIFLUOROMETHYL)8HYDROPYRAZOLO(15A)PYRIMIDIN2YL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
ETHYL2((3CHLORO5THIOPHEN2YL7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC22H16ClF3N4O3S2c123321(32)151053612(10)3520(15)2819(31)1716(23)182711(137483413)914(22(2425)26)30(18)2917h479H2356H21H3(H2831)
MFCD01244393
ZINC000006599739
ZINC06599739
ZINC6599739
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