Vitas-M small molecule compound

[4-(diphenylmethyl)piperazin-1-yl][5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

Catalog ID
STK449543
SMILES CCc1ccc(s1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

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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 C31H28F3N5OS MW 575.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28F3N5OS/c1-2-23-13-14-26(41-23)24-19-27(31(32,33)34)39-28(35-24)20-25(36-39)30(40)38-17-15-37(16-18-38)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,29H,2,15-18H2,1H3
InChIKey
HYQXFYLOZOWCFG-UHFFFAOYSA-N
Synonyms

(4(diphenylmethyl)piperazin1yl)(5(5ethylthiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
(4BENZHYDRYLPIPERAZIN1YL)(5(5ETHYLTHIOPHEN2YL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
2((4BENZHYDRYL1PIPERAZINYL)CARBONYL)5(5ETHYL2THIENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE
4(DIPHENYLMETHYL)PIPERAZINYL5(5ETHYL(2THIENYL))7(TRIFLUOROMETHYL)(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL)KETONE
CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC31H28F3N5OSc1223131426(4123)241927(31(3233)34)3928(3524)2025(3639)30(40)38171537(161838)29(2195361021)22117481222h314192029H21518H21H3
MFCD03468097
ZINC000097948501
ZINC97948501

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.