Vitas-M small molecule compound

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

Catalog ID
STK674947
SMILES O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)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 C29H23BrF3N5O2 MW 610.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrF3N5O2/c30-24-25(35-38-23(29(31,32)33)18-21(34-27(24)38)22-12-7-17-40-22)28(39)37-15-13-36(14-16-37)26(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17-18,26H,13-16H2
InChIKey
NTNAJDOTBLISDN-UHFFFAOYSA-N
Synonyms

(3bromo5(furan2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)(4(diphenylmethyl)piperazin1yl)methanone
(4BENZHYDRYLPIPERAZIN1YL)(3BROMO5(FURAN2YL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
2((4BENZHYDRYL1PIPERAZINYL)CARBONYL)3BROMO5(2FURYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE
3BROMO2((4(DIPHENYLMETHYL)PIPERAZIN1YL)CARBONYL)5FURAN2YL7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NN5C(=CC(=NC5=C4Br)C6=CC=CO6)C(F)(F)F
InChI=1SC29H23BrF3N5O2c302425(353823(29(3132)33)1821(3427(24)38)22127174022)28(39)37151336(141637)26(198314919)20105261120h112171826H1316H2
MFCD01461508
ZINC000008443625
ZINC8443625

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Available files

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