Vitas-M small molecule compound
{4-[(1-hydroxycyclohexyl)ethynyl]phenyl}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Catalog ID
STK134261
SMILES O=C(c1ccc(cc1)C#CC1(O)CCCCC1)N1CCN(CC1)c1cccc(c1)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 C26H27F3N2O2 MW 456.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F3N2O2/c27-26(28,29)22-5-4-6-23(19-22)30-15-17-31(18-16-30)24(32)21-9-7-20(8-10-21)11-14-25(33)12-2-1-3-13-25/h4-10,19,33H,1-3,12-13,15-18H2InChIKey
DTEUCDMWTHLSDS-UHFFFAOYSA-NSynonyms
(4((1HYDROXYCYCLOHEXYL)ETHYNYL)PHENYL)(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
(4(2(1HYDROXYCYCLOHEXYL)ETHYNYL)PHENYL)(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O
InChI=1SC26H27F3N2O2c2726(2829)2254623(1922)30151731(181630)24(32)219720(81021)111425(33)122131325h4101933H1312131518H2
MFCD02210918
ZINC000002820256
ZINC02820256
ZINC2820256
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