Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL036492
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2Cl)nc(cc3C(F)(F)F)c2ccccc2)sc2c1CCC(C2)C(C)(C)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 C28H26ClF3N4O3S MW 591.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClF3N4O3S/c1-27(2,3)15-10-11-16-18(12-15)40-25(20(16)26(38)39-4)34-24(37)22-21(29)23-33-17(14-8-6-5-7-9-14)13-19(28(30,31)32)36(23)35-22/h5-9,13,15H,10-12H2,1-4H3,(H,34,37)InChIKey
OLHGMNVNSUCUBN-UHFFFAOYSA-NSynonyms
333762-58-6333762586
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F
InChI=1SC28H26ClF3N4O3Sc127(23)1510111618(1215)4025(20(16)26(38)394)3424(37)2221(29)233317(148657914)1319(28(3031)32)36(23)3522h591315H1012H214H3(H3437)
methyl6(tertbutyl)2(3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(((3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01540778
ZINC000001868070
ZINC000001868071
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