Vitas-M small molecule compound

{7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl}[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone

Catalog ID
STK680142
SMILES O=C(c1nn2c(c1)nc(cc2C(Cl)(F)F)c1cccs1)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3

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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 C26H28ClF2N5OS MW 532.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClF2N5OS/c27-26(28,29)22-11-19(21-2-1-7-36-21)30-23-12-20(31-34(22)23)24(35)32-3-5-33(6-4-32)25-13-16-8-17(14-25)10-18(9-16)15-25/h1-2,7,11-12,16-18H,3-6,8-10,13-15H2
InChIKey
UADHIWRARGSSJD-UHFFFAOYSA-N
Synonyms
(4(1ADAMANTYL)PIPERAZIN1YL)(7(CHLORO(DIFLUORO)METHYL)5THIOPHEN2YLPYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
(7(chloro(difluoro)methyl)5(thiophen2yl)pyrazolo(15a)pyrimidin2yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
C1CN(CCN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)Cl)C56CC7CC(C5)CC(C7)C6
Registry IDs
MFCD03766691
ZINC000098005136
ZINC98005136

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Available files

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