Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL057254
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccco2)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 C27H27F3N4O4S MW 560.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F3N4O4S/c1-5-37-25(36)22-15-9-8-14(26(2,3)4)11-19(15)39-24(22)32-23(35)17-13-21-31-16(18-7-6-10-38-18)12-20(27(28,29)30)34(21)33-17/h6-7,10,12-14H,5,8-9,11H2,1-4H3,(H,32,35)InChIKey
KADCQHQKCDLCRS-UHFFFAOYSA-NSynonyms
333762-78-0333762780
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)F
ethyl6(tertbutyl)2(5(furan2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl6tertbutyl2(((5(furan2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((5(furan2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H27F3N4O4Sc153725(36)22159814(26(23)4)1119(15)3924(22)3223(35)1713213116(1876103818)1220(27(2829)30)34(21)3317h67101214H58911H214H3(H3235)
MFCD01451937
ZINC000001869637
ZINC000001869638
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