Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK838029
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2Cl)nc(cc3C(F)(F)F)c2cccs2)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 C26H24ClF3N4O3S2 MW 597.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClF3N4O3S2/c1-25(2,3)12-7-8-13-16(10-12)39-23(18(13)24(36)37-4)32-22(35)20-19(27)21-31-14(15-6-5-9-38-15)11-17(26(28,29)30)34(21)33-20/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,32,35)InChIKey
YXRQTWDOXXRIPW-UHFFFAOYSA-NSynonyms
333765-84-7333765847
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F
InChI=1SC26H24ClF3N4O3S2c125(23)12781316(1012)3923(18(13)24(36)374)3222(35)2019(27)213114(156593815)1117(26(2829)30)34(21)3320h5691112H7810H214H3(H3235)
methyl6(tertbutyl)2(3chloro5(thiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(((3chloro5(thiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((3chloro5thiophen2yl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01450713
ZINC000002082134
ZINC000002082135
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