Vitas-M small molecule compound
ethyl 2-({[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STL405315
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2Cl)nc(cc3C(F)(F)F)c2ccc(cc2)Br)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 C24H17BrClF3N4O3S MW 613.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrClF3N4O3S/c1-2-36-23(35)17-13-4-3-5-15(13)37-22(17)31-21(34)19-18(26)20-30-14(11-6-8-12(25)9-7-11)10-16(24(27,28)29)33(20)32-19/h6-10H,2-5H2,1H3,(H,31,34)InChIKey
MOFKNCBUEBNBHB-UHFFFAOYSA-NSynonyms
354544-83-5354544835
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=C(C=C5)Br)C(F)(F)F
ethyl2(((5(4bromophenyl)3chloro7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((5(4BROMOPHENYL)3CHLORO7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC24H17BrClF3N4O3Sc123623(35)171343515(13)3722(17)3121(34)1918(26)203014(116812(25)9711)1016(24(2728)29)33(20)3219h610H25H21H3(H3134)
MFCD01450653
ZINC000008456797
ZINC08456797
ZINC8456797
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