Vitas-M small molecule compound
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethanone
Catalog ID
STK519491
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CSc1nc(cc(n1)C(F)(F)F)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 C25H23F3N4O3S MW 516.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F3N4O3S/c26-25(27,28)22-13-19(18-4-2-1-3-5-18)29-24(30-22)36-15-23(33)32-10-8-31(9-11-32)14-17-6-7-20-21(12-17)35-16-34-20/h1-7,12-13H,8-11,14-16H2InChIKey
RWDCRSBDZPWDME-UHFFFAOYSA-NSynonyms
710288-75-81(4(13benzodioxol5ylmethyl)piperazin1yl)2((4phenyl6(trifluoromethyl)pyrimidin2yl)sulfanyl)ethanone
1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2(4PHENYL6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYLETHANONE
1(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)2(4PHENYL6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)ETHAN1ONE
710288758
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC(=CC(=N4)C(F)(F)F)C5=CC=CC=C5
InChI=1SC25H23F3N4O3Sc2625(2728)221319(184213518)2924(3022)361523(33)3210831(91132)1417672021(1217)35163420h171213H8111416H2
MFCD04001159
ZINC000016492717
ZINC16492717
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