Vitas-M small molecule compound
5-(3,4-dimethylphenyl)-N-[2-(4-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}piperazin-1-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK430789
SMILES O=C(c1cc2n(n1)c(cc(n2)c1ccc(c(c1)C)C)C(F)(F)F)NCCN1CCN(CC1)C(=O)c1cc2n(n1)c(cc(n2)c1ccc(c(c1)C)C)C(F)(F)F
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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 C38H35F6N9O2 MW 763.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35F6N9O2/c1-21-5-7-25(15-23(21)3)27-17-31(37(39,40)41)52-33(46-27)19-29(48-52)35(54)45-9-10-50-11-13-51(14-12-50)36(55)30-20-34-47-28(26-8-6-22(2)24(4)16-26)18-32(38(42,43)44)53(34)49-30/h5-8,15-20H,9-14H2,1-4H3,(H,45,54)InChIKey
MBKIEAYJGPKDRB-UHFFFAOYSA-NSynonyms
(5(34DIMETHYLPHENYL)7(TRIFLUOROMETHYL)(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL))N(2(4((5(34DIMETHYLPHENYL)7(TRIFLUOROMETHYL)(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL))CARBONYL)PIPERAZINYL)ETHYL)CARBOXAMIDE
5(34dimethylphenyl)N(2(4((5(34dimethylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)piperazin1yl)ethyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
5(34DIMETHYLPHENYL)N(2(4(5(34DIMETHYLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)PIPERAZIN1YL)ETHYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBOXAMIDE
CC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCCN4CCN(CC4)C(=O)C5=NN6C(=CC(=NC6=C5)C7=CC(=C(C=C7)C)C)C(F)(F)F)C
InChI=1SC38H35F6N9O2c1215725(1523(21)3)271731(37(3940)41)5233(4627)1929(4852)35(54)4591050111351(141250)36(55)3020344728(268622(2)24(4)1626)1832(38(4243)44)53(34)4930h581520H914H214H3(H4554)
MFCD03465838
ZINC000097949295
ZINC97949295
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