Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK837886
SMILES COC(=O)c1c(NC(=O)c2cnn3c2nc(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 C28H27F3N4O3S MW 556.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27F3N4O3S/c1-27(2,3)16-10-11-17-20(12-16)39-25(22(17)26(37)38-4)34-24(36)18-14-32-35-21(28(29,30)31)13-19(33-23(18)35)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,34,36)InChIKey
ZBOXREDUDPXPGG-UHFFFAOYSA-NSynonyms
330947-57-4330947574
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CC=C5
InChI=1SC28H27F3N4O3Sc127(23)1610111720(1216)3925(22(17)26(37)384)3424(36)1814323521(28(2930)31)1319(3323(18)35)158657915h59131416H1012H214H3(H3436)
methyl6(tertbutyl)2(5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(((5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01451810
ZINC000001899257
ZINC000001899258
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