Vitas-M small molecule compound
ethyl 2-({[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL051045
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2Cl)nc(cc3C(F)(F)F)c2ccccc2)sc2c1CCC(C2)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 C26H22ClF3N4O3S MW 563.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClF3N4O3S/c1-3-37-25(36)19-15-10-9-13(2)11-17(15)38-24(19)32-23(35)21-20(27)22-31-16(14-7-5-4-6-8-14)12-18(26(28,29)30)34(22)33-21/h4-8,12-13H,3,9-11H2,1-2H3,(H,32,35)InChIKey
GACIRDUNUQTKQL-UHFFFAOYSA-NSynonyms
333762-63-3333762633
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F
ethyl2(((3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC26H22ClF3N4O3Sc133725(36)191510913(2)1117(15)3824(19)3223(35)2120(27)223116(147546814)1218(26(2829)30)34(22)3321h481213H3911H212H3(H3235)
MFCD01540783
ZINC000006599737
ZINC000006599738
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