Vitas-M small molecule compound
methyl 4-(2-hydroxy-3-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propoxy)benzoate
Catalog ID
STL156877
SMILES COC(=O)c1ccc(cc1)OCC(CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)O
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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 C21H24F3N3O4 MW 439.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24F3N3O4/c1-30-20(29)15-2-5-18(6-3-15)31-14-17(28)13-26-8-10-27(11-9-26)19-7-4-16(12-25-19)21(22,23)24/h2-7,12,17,28H,8-11,13-14H2,1H3InChIKey
XMCWSRLRJFCOPN-UHFFFAOYSA-NSynonyms
1324091-38-41324091384
COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)O
InChI=1SC21H24F3N3O4c13020(29)152518(6315)311417(28)132681027(11926)197416(122519)21(2223)24h27121728H8111314H21H3
methyl4(2hydroxy3(4(5(trifluoromethyl)pyridin2yl)piperazin1yl)propoxy)benzoate
MFCD08651374
ZINC000017741042
ZINC000017741044
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