Vitas-M small molecule compound
[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl][4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone
Catalog ID
STK681997
SMILES O=C(c1nn2c(c1Cl)nc(cc2C(F)(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 C26H27ClF3N5OS MW 550.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClF3N5OS/c27-21-22(32-35-20(26(28,29)30)11-18(31-23(21)35)19-2-1-7-37-19)24(36)33-3-5-34(6-4-33)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-2,7,11,15-17H,3-6,8-10,12-14H2InChIKey
UGDVFUWPVHWRQC-UHFFFAOYSA-NSynonyms
(3chloro5(thiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
(4(1ADAMANTYL)PIPERAZIN1YL)(3CHLORO5THIOPHEN2YL7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
C1CN(CCN1C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F)C56CC7CC(C5)CC(C7)C6
InChI=1SC26H27ClF3N5OSc272122(323520(26(2829)30)1118(3123(21)35)192173719)24(36)333534(6433)251215816(1325)1017(915)1425h127111517H368101214H2
MFCD03820931
ZINC000098005764
ZINC98005764
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