Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004963
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)C(F)(F)F)C(=O)CC(C2)(C)C)OCC1CCCO1
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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 C25H28F3NO4 MW 463.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F3NO4/c1-14-20(23(31)33-13-17-8-5-9-32-17)21(15-6-4-7-16(10-15)25(26,27)28)22-18(29-14)11-24(2,3)12-19(22)30/h4,6-7,10,17,21,29H,5,8-9,11-13H2,1-3H3InChIKey
HRQIFKIVRMXYFZ-UHFFFAOYSA-NSynonyms
297158-19-1297158191
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)C(F)(F)F)C(=O)OCC4CCCO4
InChI=1SC25H28F3NO4c11420(23(31)3313178593217)21(1564716(1015)25(2627)28)2218(2914)1124(23)1219(22)30h46710172129H5891113H213H3
MFCD01988859
O=C(C1=C(C)NC2=C(C1c1cccc(c1)C(F)(F)F)C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl277trimethyl5oxo4(3(trifluoromethyl)phenyl)1468tetrahydroquinoline3carboxylate
STK004963
tetrahydrofuran2ylmethyl277trimethyl5oxo4(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ZINC000000674288
ZINC000000674293
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